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10K.csv
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,i_i_glide_lignum,r_i_docking_score,SMILES
0,13477,-13.1268,C[C@@H](NC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)c1ccc(NC(=O)NC2CC2)cc1
1,516,-12.6629,O=C(Nc1cccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1)[C@@H]1Cc2ccccc2O1
2,9425,-12.487,Cc1nn(-c2ccccc2)c2nc(C(=O)N3CCC([C@H]4C(=O)Nc5ccccc54)CC3)ccc12
3,14512,-12.4835,Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3cccc([C@@]4(C)NC(=O)NC4=O)c3)C2)c1
4,9615,-12.4785,CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1
5,12019,-12.3322,O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1
6,2689,-12.1874,NC(=O)[C@H]1CCCN(c2ccc(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cc2)C1
7,6330,-12.1792,Cn1c(=O)[nH]c2ccc(C(=O)NCC[C@H]3CN(c4ncnc5[nH]ncc45)c4ccccc43)cc21
8,7261,-12.0921,O=C(NCC(=O)N1CCc2ccccc2C1)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1
9,14012,-12.0323,C#Cc1cc(F)c(NC(=O)C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c(F)c1
10,4138,-11.9436,Nc1nccc([C@H]2CCCN(C(=O)c3cccc(NS(=O)(=O)c4ccc(F)c(F)c4)c3)C2)n1
11,14123,-11.9141,O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1
12,1799,-11.822,Cc1cc(-c2cc(C(=O)NCc3cccc([C@]4(C)NC(=O)NC4=O)c3)c3c(C)noc3n2)c(C)o1
13,19451,-11.7789,O=C(c1ccc2c(c1)CCCC2)N1CCCC[C@H]1c1nc(=O)[nH][nH]1
14,1790,-11.7684,O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCC(c2c[nH]c3ncccc23)CC1
15,5180,-11.7679,C[C@H](NC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(-c2ccncc2)cc1
16,11323,-11.7604,O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CC[C@H](c4ccccc4F)C3)ccc21
17,2934,-11.737,O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1
18,17571,-11.712,O=C([C@H]1CCCc2ccccc21)N1CCC(c2c[nH]c3ncccc23)CC1
19,14692,-11.6641,C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1ccc(NC(=O)c2ccncc2)cc1
20,20514,-11.6553,C[C@@](O)(CCc1ccccc1)C(=O)NCc1nc(-c2ccccn2)n[nH]1
21,9570,-11.6368,NC(=O)C1(c2ccccc2)CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1
22,14733,-11.6328,O=C1CCCc2cc(C(=O)N3C[C@@H](c4ccccc4)[C@@H]4CCC[C@H]43)ccc2N1
23,7427,-11.5004,CNc1cccc(-c2cn(Cc3cc(C(F)(F)F)nn3C)nn2)c1
24,2917,-11.4982,C[C@@H]1Cc2c(C(=O)N3CCC(c4c[nH]c5ncccc45)CC3)n[nH]c2[C@@H](C)O1
25,12155,-11.4895,COc1ccc(-c2noc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3O)n2)cn1
26,1913,-11.4503,Cc1cc(-c2noc(CCC(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)n2)ccc1F
27,2684,-11.4405,O=C(NC[C@H](O)c1cccc(Cl)c1)c1c[nH]nc1-c1c(F)cccc1F
28,1912,-11.4212,Cc1cc(-c2noc(CCC(=O)N3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)n2)ccc1F
29,3247,-11.4158,NS(=O)(=O)c1cccc(CNC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1
30,8437,-11.3983,O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)[C@@H](O)[C@@H](O)c1nc2ccccc2s1
31,6764,-11.348,O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cn([C@H]2CCOC2)nn1
32,3991,-11.3452,CC(=O)Nc1ccc(NC(=O)c2ccoc2CN2c3ccccc3C[C@H]2C)cc1
33,17237,-11.3184,O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F
34,14260,-11.2984,Cc1nc([C@H](NC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c2ccccc2)n[nH]1
35,5571,-11.2869,O=C([C@@H]1C[C@@H]2CC[C@H]1O2)N1CCC(c2nc(=O)[nH][nH]2)CC1
36,5162,-11.2821,C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc4[nH]ncc4c3)C2)CC1
37,1678,-11.2723,C[C@@H](NC(=O)C(Cc1ccccc1)Cc1ccccc1)c1ccc2c(c1)CC(=O)N2
38,10455,-11.2648,O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
39,1484,-11.2497,O=C(NCc1noc2c1CCCC2)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O
40,10841,-11.2464,O=C1Cc2cc(CCCC(=O)Nc3ccccc3N3CCCC3=O)ccc2N1
41,7121,-11.2327,C[C@@](O)(CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(F)cc1
42,17648,-11.222,C[C@@H](CO)NC(=O)Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1
43,16897,-11.2179,O=C1NCc2c(NC(=O)N3CCCC4(CCCCC4)CC3)cccc21
44,6047,-11.2151,O=C(CCc1nc2cccnc2[nH]1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1
45,11385,-11.208,Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCC(C(=O)NCc3ccc(F)cc3)CC1)C2=O
46,14590,-11.2021,O=C([C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1)N1CCC[C@@H](O)CC1
47,5609,-11.1936,Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnc2n1CCC2
48,19671,-11.1783,Cc1cccc(-c2cccc(C(=O)N3C[C@H](CO)[C@@H](CO)C3)c2)c1
49,7878,-11.1572,CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1nc2ccccc2n1CC
50,11524,-11.1544,O=C(NCc1ccc(C(=O)N2CCc3c(nc[nH]c3=O)C2)cc1)OCc1ccccc1
51,5891,-11.1425,O=C(N[C@H]1CCc2ccc(F)cc21)c1c[nH]nc1-c1ccccc1
52,19345,-11.1258,CNc1ccc(C(=O)NCc2cccc(N3CCOCC3)c2)cn1
53,11161,-11.1157,Cc1cc(C)c(N2C[C@@H](C(=O)NCc3ccnc(-n4ccnc4)c3)CC2=O)c(C)c1
54,10716,-11.1015,O=C1CCCc2cc(C(=O)N(CCCO)Cc3cccc(Cl)c3)ccc2N1
55,16729,-11.094,O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1
56,16649,-11.0609,C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1cccc(O)c1
57,1917,-11.0411,Cc1n[nH]c(-c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)cc2)n1
58,8938,-11.0161,COc1cccc(CNC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1
59,16406,-11.0029,COc1cccc(C(=O)NCC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1
60,7071,-10.9909,C[C@@H](NC(=O)c1c[nH]nc1-c1cccnc1)c1ccc(Cl)cc1
61,18584,-10.9825,CC(C)[C@@H](O)CC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1
62,7082,-10.9817,O=C(Cc1ccc(O)cc1)N1CCC[C@@H]1C[C@H](O)c1ccccc1
63,8367,-10.9713,C[C@](O)(CCc1ccccc1)C(=O)N[C@@H]1CCCOc2ccccc21
64,1846,-10.9658,NC(=O)[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)c1ccc(F)cc1
65,5908,-10.9656,O=C(O[C@H]1CCN(c2ccccc2Cl)C1=O)c1n[nH]c(=O)c2ccccc12
66,16240,-10.9647,Cc1ccc(-c2cc(C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)c3c(C)noc3n2)cc1
67,10452,-10.963,O=C(Cc1c[nH]c2ccc(F)cc12)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O
68,2112,-10.9524,COc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1OC
69,5971,-10.9386,NC(=O)NC[C@H]1CCCN(C(=O)NCc2ccccc2Oc2ccccc2)C1
70,2852,-10.9348,O=C1Cc2cc(CCCc3nc(-c4ccc(F)cc4)no3)ccc2N1
71,7698,-10.9235,O=C1NCCN(C(=O)c2cc(C3CC3)on2)[C@H]1c1ccc(C(F)(F)F)cc1
72,12855,-10.9225,Cc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1NS(=O)(=O)c1ccccc1
73,2412,-10.9221,C[C@@H](C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCc2ccccc21
74,10879,-10.9128,Cc1c[nH]c(=O)n1-c1cccc(C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)c1
75,1762,-10.9,C[C@H]1Cc2c(C(=O)N3CCc4[nH]nc(C(F)(F)F)c4C3)n[nH]c2[C@@H](C)O1
76,2111,-10.8949,COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1OC
77,12117,-10.892,c1ccc2c(c1)OCC[C@@H]2c1nc(-c2ccc3[nH]cnc3c2)no1
78,18568,-10.8847,C[C@H](Nc1nc(-c2cccnc2)nc2c1CCC2)c1cccc(S(N)(=O)=O)c1
79,1373,-10.8836,COc1ccc2cc(C(=O)N3CCC(O)(Cc4ccncc4)CC3)c(C)nc2c1
80,12101,-10.8646,O=C(NC[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1
81,3926,-10.8641,O=C(NCc1ccc2c(n1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1
82,20139,-10.8618,Cc1cc(F)ccc1-n1ccc(C(=O)N2CCc3ccccc3[C@H]2CO)n1
83,4428,-10.8571,O=C([C@@H]1CCc2[nH]ncc2C1)N1CCC[C@@H]1c1ccccc1
84,3880,-10.8564,O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1
85,11491,-10.8481,O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1c(-c2ccccc2)[nH][nH]c1=O
86,11278,-10.8468,O=C(NCc1ccc(F)cc1)C1CCN(C(=O)C2(O)CCCC2)CC1
87,8200,-10.8458,O=C1C[C@@H](C(=O)Nc2c(F)cccc2Oc2ccccc2)c2ccccc2N1
88,11272,-10.843,O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1
89,9626,-10.8287,NC(=O)c1cn(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c2ccccc12
90,7834,-10.8205,C[C@]1(c2cccc(-c3noc([C@H]4C[C@H]4c4ccc(F)cc4)n3)c2)NC(=O)NC1=O
91,12828,-10.8185,Cn1nc(-c2ccccc2)c2c(NC(=O)[C@H]3C[C@@H]3C(F)F)n[nH]c21
92,12686,-10.8136,C[C@H](C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(O)c(F)c2)c(F)c1
93,18514,-10.8114,O=C(Cc1cccnc1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
94,4418,-10.8072,Cn1c(-c2n[nH]c(=O)c3ccccc23)nnc1N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1
95,6895,-10.8044,O=C(NCc1ccc(-c2ccccc2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1
96,1027,-10.7957,O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1C[C@H](Cn2ccnc2)C[C@@H]1O
97,8211,-10.7919,COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cccc2[nH]c(=O)oc12
98,17160,-10.7857,Cc1nc2c(cc1C(=O)N[C@H](C)c1ccc3c(c1)CCC(=O)N3)c(C)nn2C
99,6383,-10.7851,O=C(NC[C@H](O)c1cccc(Cl)c1)c1c[nH]nc1-c1ccc(Cl)s1
100,15197,-10.7807,COc1cc(CNC(=O)N2CCC[C@H]2Cc2ccccc2)ccc1OCC(N)=O
101,549,-10.7806,O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1ccc(-n2ccnc2)nc1
102,14177,-10.7785,Cc1ccc(-c2cc(C(=O)NCc3nncn3-c3ccccc3)c3c(C)noc3n2)cc1
103,15800,-10.77,C[C@H](CCNC(=O)N1CC(C(C)(C)O)C1)c1cccc(C(F)(F)F)c1
104,19320,-10.766,Cc1ccc(CNC(=O)c2cccc(CNC(=O)Nc3ccc4c(c3)CCC(=O)N4C)c2)cc1
105,3312,-10.7654,CCNC(=O)c1ccc(NCc2cccc(C(=O)N3CCCCC3)c2)nc1
106,1282,-10.7603,CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(-c4cc(C)cc(C)c4)n[nH]3)cc2CC1
107,7799,-10.7572,Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1
108,12995,-10.753,COc1ccccc1NC(=O)Cc1noc([C@@H]2Cc3ccccc3N2C(C)=O)n1
109,6893,-10.7494,O=C(NCc1ccc(-c2ccccc2)cc1)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1
110,1401,-10.7464,NC(=O)C1CCN(c2ccccc2NC(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1
111,12666,-10.7444,CC(C)C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc(-c2nnc[nH]2)no1
112,5432,-10.7421,O=C(c1cc(N2CCNC2=O)ccc1F)N1CCCN(c2ccccc2Cl)CC1
113,5504,-10.7406,C[C@H]1CC[C@@H](O)CN1C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12
114,19111,-10.74,CNC(=O)C[C@@H]1CN(C(=O)NCCc2ccc(OC)c3ccccc23)C[C@H]1O
115,5887,-10.7397,N#CCCn1cc(C(=O)Nc2ccc(F)c(C(N)=O)c2)c(-c2cccc3ccccc23)n1
116,14088,-10.7359,C[C@H](CNC(=O)c1cccc2[nH]c(=O)oc12)c1cccc(F)c1
117,16978,-10.7325,CNC(=O)c1cc2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2[nH]1
118,475,-10.7319,CCc1cnccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F
119,2246,-10.7308,OC[C@H]1CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c2ccccc21
120,6287,-10.7282,CCn1cc(C(=O)NCC2([C@H](O)c3ccccc3)CC2)c2ccccc21
121,10248,-10.7218,O=C(N[C@H]1CCc2[nH]cnc2C1)c1cc(C2CC2)nc2ccccc12
122,1788,-10.7168,CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCCc1ccc(O)cc1
123,15436,-10.7128,Cc1c([C@@H](NC(=O)N[C@H]2CC[C@H](O)CC2)C(C)C)oc2ccccc12
124,9499,-10.7123,Cc1ccc(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)cc1-c1ncco1
125,17891,-10.7102,Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccccc3Cn3cncn3)c12
126,5942,-10.7092,O=C1CCCc2cc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)ccc2N1
127,161,-10.7089,CC(C)C[C@H]1C[C@H](NC(=O)c2c[nH]nc2-c2ccccc2)CCO1
128,19297,-10.7058,C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1cccc(NS(C)(=O)=O)c1
129,19213,-10.705,O=C(N[C@H]1CCCCC[C@@H]1CO)[C@@H](c1ccccc1)n1cnc2ccccc21
130,8336,-10.7044,O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cc(F)ccc1N1CCOCC1
131,6073,-10.7038,N[C@@H](CNC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1
132,3607,-10.7021,CCc1ccc(-c2ccc(C(=O)N(CC(=O)NC)C[C@H]3CCN(S(C)(=O)=O)C3)o2)cc1
133,13454,-10.6877,Cc1cccc2c(CCN3C(=O)[C@H]4C[C@@H]5CCCC[C@@H]5N4C3=O)c[nH]c12
134,12055,-10.6733,Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCO[C@@H](c4cccc(F)c4)C3)c12
135,14105,-10.6682,COc1cccc(N2C[C@H](NC(=O)c3cccc(C(N)=O)c3)CC2=O)c1
136,1847,-10.6648,NC(=O)[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)c1ccc(F)cc1
137,19464,-10.6564,CNC(=O)c1cccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c1
138,20398,-10.6436,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
139,5850,-10.6386,Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCC(C)(c4ccccc4)CC3)ccc21
140,14581,-10.6315,O=C([C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1)N1CCC[C@H](O)CC1
141,4998,-10.6295,NC(=O)C[C@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CC2)C[C@@H]1O
142,2033,-10.6265,CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)Cc2coc3cc(C)c(C)cc23)o1
143,9455,-10.6219,O=C(NC[C@H](O)CO)OCC1c2ccccc2-c2ccccc21
144,2167,-10.6166,O=C([C@@H](O)C1(O)CCC1)N1CCC(Cc2cc(F)ccc2F)CC1
145,724,-10.6149,O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCC([C@H](O)c2ccccc2)CC1
146,16041,-10.6133,O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
147,9812,-10.6054,O=C(c1ccc(F)cc1)N1CCCN(C(=O)[C@H](O)c2ccc(Cl)cc2F)CC1
148,16887,-10.6024,O=C(c1ccc(-c2cnco2)cc1)N1CCC[C@@](O)(C(F)(F)F)CC1
149,9050,-10.6019,Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3Cc4ccccc4-c4ccccc4C3)C2=O)c1
150,2362,-10.5929,Cc1cc(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)nc2nc(O)[nH]c(=O)c12
151,10542,-10.5918,C[C@]1(c2cccc(-c3noc(CN4CCc5ccccc5C4=O)n3)c2)NC(=O)NC1=O
152,8322,-10.5913,O=C(c1cnc2ccccc2c1)N1CCC[C@@](O)(C(F)(F)F)CC1
153,13594,-10.59,COc1ccc([C@H](NC(=O)NCc2nc(-c3ccco3)n[nH]2)c2ccc(C)cc2)cc1
154,5761,-10.5868,Cc1ccc(CNC(=O)C2CCN(C(=O)N[C@H]3C[C@@H](c4ccccc4)C3)CC2)cc1F
155,10333,-10.5749,O=C(NCc1ccc2c(c1)CCC2)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
156,17342,-10.5704,CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Cc2coc3cc(C)c(C(C)C)cc23)C1
157,19608,-10.5682,CC1(C)C[C@@H](NC(=O)CCc2nc(-c3cccs3)no2)c2ccc(F)cc2O1
158,6162,-10.5661,O=C(Cc1cccc(F)c1)NCC(=O)N1CCNC(=O)[C@H]1c1ccccc1F
159,16714,-10.5605,CC(=O)N1CCc2cc(C(=O)NC[C@@H](O)c3cc(C)cc(C)c3)ccc21
160,705,-10.5569,CC(C)(C)c1nc(CCNC(=O)N[C@H]2c3ccccc3C[C@H]2O)cs1
161,17904,-10.5565,NC(=O)c1cc(NC(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1F
162,19258,-10.5518,CC(C)Oc1ccc([C@H](O)CNC(=O)C[C@H](C)c2ccc(F)cc2F)cc1
163,11511,-10.5463,NC(=O)c1cc(NC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)ccc1F
164,10425,-10.5455,O=C1CC[C@@H](NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)C(=O)N1
165,10666,-10.545,CNC(=O)CNC(=O)c1cccc(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1
166,17722,-10.5383,O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCC[C@@H]1c1ccc(F)cc1
167,12837,-10.5335,O=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1Cc2ccccc2[C@@H](c2ccccc2)C1
168,12652,-10.5329,Cc1ccnc2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)cc12
169,6055,-10.5327,C[C@@H](C[C@@H]1CCOC1)NC(=O)NCc1ccc(COCC(F)(F)F)cc1
170,2876,-10.525,CC(C)(C)[C@@H](N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1
171,17961,-10.5244,COc1ccc(-c2ccccc2C)c(C(=O)N2C[C@H](CC(N)=O)[C@@H](O)C2)c1
172,10368,-10.5242,O=C([C@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCn2c(nnc2C2CCCC2)C1
173,6061,-10.5193,O=C([C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)N1CCN(c2ncccn2)CC1
174,8968,-10.5156,O=C(c1ccccc1OC(F)F)N1CCN(C(=O)[C@H](O)c2ccccc2Cl)CC1
175,4501,-10.5142,O=C(c1ccc(-n2cnnc2)cc1)N1CCC([C@H](O)c2ccccc2)CC1
176,12757,-10.4993,Cc1ccc(C2(CNc3nc(=O)c4cn[nH]c4[nH]3)CCCC2)c(C)c1
177,16944,-10.4974,COc1nn(C)cc1CNC(=O)N[C@@H](C)c1cccc2ccccc12
178,10721,-10.4968,O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NC[C@@H](O)c1ccc(F)cc1
179,11319,-10.4951,CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(-c3ncn[nH]3)c2)c1
180,1838,-10.491,COc1cccc(C[C@@]2(C(=O)N[C@@H]3CCCC[C@H]3O)C[C@@H]3CC[C@H]2C3)c1
181,16574,-10.4869,O=C(N[C@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1c[nH]nc1-c1ccc(Cl)cc1
182,17939,-10.4867,Cc1ccc(S(=O)(=O)CCCN2C(=O)N[C@](C)(c3ccc(F)cc3F)C2=O)cc1
183,14934,-10.4845,Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc(O)n1
184,19450,-10.4829,O=C(c1ccc2c(c1)CCCC2)N1CCCC[C@@H]1c1nc(=O)[nH][nH]1
185,16253,-10.4829,Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)[nH]n1
186,16226,-10.4806,N#Cc1cccc(-n2ccc(-c3nc(-c4n[nH]c5ccccc45)no3)n2)c1
187,4313,-10.4796,Cc1c(NC(=O)N[C@H](CCO)c2cccs2)nnn1Cc1ccccc1F
188,17057,-10.4756,Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCC[C@](C)(CO)C2)cc1
189,83,-10.4735,O=C(Nc1cc(C2CC2)nn1-c1ccccc1)N[C@H](Cn1ccccc1=O)c1ccccc1
190,14230,-10.4725,O=C(NCc1cnc2n1CCCC2)[C@H]1CCCN1C(=O)c1ccc(Br)cc1
191,11063,-10.4615,CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cc(CC(C)(C)C)n[nH]1
192,18158,-10.461,N#Cc1cc(Cl)ccc1N1CCC(C(=O)NCCc2ccccc2F)CC1
193,6074,-10.4602,CCc1nnc([C@@H]2C[C@H](O)CN2C(=O)c2cc3ccc(C)cc3nc2C)o1
194,5252,-10.4565,CCC[C@@H](NC(=O)c1cnc2snc(C)c2c1)C(=O)Nc1cccc(N2CCCC2)c1
195,19429,-10.4563,O=C1C[C@H]([C@@H]2CCCCN2C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CN1
196,4320,-10.4561,NC(=O)C1(O)CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)CC1
197,17570,-10.4558,O=C([C@@H]1CCCc2ccccc21)N1CCC(c2c[nH]c3ncccc23)CC1
198,18554,-10.4539,O=C(CCc1cncnc1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1
199,8593,-10.4534,O=C(c1cn(-c2ccccc2Cl)nn1)N1CCC([C@H](O)c2ccc(F)cc2)CC1
200,9691,-10.4505,COc1ccc2c(c1)[C@H](C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C)CC2
201,10669,-10.4439,O=C(Cn1[nH]cc2c(=O)ncnc1-2)N[C@H](CCCc1ccccc1)c1ccccc1
202,9550,-10.4434,Cn1cc(CCNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cn1
203,7922,-10.4432,C[C@H]1CN(C(=O)c2cnc3[nH]cnc3c2)CC[C@H]1c1ccccc1
204,10906,-10.4423,Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(Cc2ccccc2)n[nH]1
205,7625,-10.4321,CCCC(=O)N1CCC[C@H](C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)C1
206,19181,-10.4303,Cc1ccc([C@@H](C)N(C)C(=O)NCc2cc(-c3ccccc3)on2)cc1
207,435,-10.428,Cn1cc(CNc2cccc(CN3CCCC3=O)c2)c(-c2cc(F)ccc2F)n1
208,10830,-10.4256,C[C@@]1(c2ccc(CNC(=O)c3cc4c(C(F)(F)F)cc(=O)[nH]c4o3)cc2)NC(=O)NC1=O
209,4728,-10.4256,O=C(NCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)c1cccnc1
210,11548,-10.425,Cc1nc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)ccc1-c1ccccc1
211,4268,-10.4214,Cc1ccc(-n2nc(C(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)c3c2CCC3)c(F)c1
212,6971,-10.4188,O=C(COc1ccc2ccccc2c1)NCCc1cccc(O)c1
213,10676,-10.4174,O=C(NCc1ccc2c(c1)OCCO2)NC1CCN(C(=O)c2ccccc2)CC1
214,14756,-10.4173,COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)Cn2cnc3c(cnn3C)c2=O)c1
215,2360,-10.4158,O=C(NCc1nc2ccccc2[nH]1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
216,17081,-10.4129,O=C(N[C@H]1CC[C@@H](O)CC1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1
217,9616,-10.4113,CCOc1cc2c(cc1CNC(=O)N1CCC(CC(=O)NC3CCCC3)CC1)O[C@H](C)C2
218,7038,-10.4101,O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1CCc2ccccc2C1
219,13878,-10.4044,C[C@@H]1Oc2ccc(NC(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)cc2NC1=O
220,9688,-10.3988,O=C(c1nnn(C2CC2)c1C(F)(F)F)N1Cc2ccccc2[C@@H](c2ccccc2)C1
221,13148,-10.3962,O=C([C@H](CO)c1ccccc1)N(Cc1ccccc1F)C1CC1
222,2824,-10.3954,NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)CC1
223,19396,-10.3912,O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@@H]21
224,2432,-10.3909,CC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O
225,5831,-10.388,C[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@@H](c2ccccc2)O1
226,12044,-10.3868,O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)N1CCC(OCCO)CC1
227,11922,-10.3858,Cc1ccncc1N1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1
228,9813,-10.3827,O=C(c1ccc(F)cc1)N1CCCN(C(=O)[C@@H](O)c2ccc(Cl)cc2F)CC1
229,9544,-10.372,Cc1ccc(CC(=O)N2CCC[C@H](c3nc(=O)[nH][nH]3)C2)cc1O
230,18090,-10.3705,NC(=O)N1CCc2cc(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)ccc21
231,15708,-10.3632,Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c(O)c1
232,13096,-10.3602,C[C@H](NC(=O)c1ccc(Nc2ncccn2)cc1)[C@H](O)c1ccccc1
233,17675,-10.3587,O=C(N[C@H]1C[C@H](Cn2ccnc2)C[C@@H]1O)c1ccc2ccccc2c1
234,10996,-10.3581,Cn1c(=O)oc2ccc(CNC(=O)NC[C@H]3C[C@@H]3c3ccccc3)cc21
235,18048,-10.3577,COc1ccc2c(N[C@@H]3CCOC4(CCCC4)C3)ncnc2c1F
236,10568,-10.3544,CCc1nnc([C@@H]2C[C@H](O)CN2C(=O)Cn2cc(C)c3ccccc32)o1
237,18518,-10.354,Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@@H]([NH3+])[C@@H](c4ccccc4)C3)c2)n1
238,15705,-10.3491,O=C(NCc1ccccc1)C1CCN(C(=O)N[C@@H]2COc3ccccc32)CC1
239,13255,-10.3483,C[C@H](NC(=O)N1CCC(c2ccc(O)cc2)CC1)c1cccc(OC(F)F)c1
240,4267,-10.3469,Cc1ccc(-n2nc(C(=O)Nc3cccc([C@]4(C)NC(=O)NC4=O)c3)c3c2CCC3)c(F)c1
241,19249,-10.3466,CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
242,8489,-10.3458,C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccn1
243,1095,-10.344,C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc(F)c(C(N)=O)c1)OCCO3
244,8512,-10.3436,O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1
245,14836,-10.3413,O=C(CNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)NCCc1ccccc1
246,19349,-10.3413,NC(=O)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)c1ccccc1
247,12860,-10.3392,O=C(NCC1CC1)[C@@H]1CCCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)C1
248,733,-10.3385,O=C(NCCc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1ncc[nH]1
249,8014,-10.3346,O=C(Nc1ccc2c(n1)CCC2)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1
250,17050,-10.3338,Cc1cc(C(=O)N2CCc3cc(F)cc(C)c3C2)c2c(C)n[nH]c2n1
251,7431,-10.3325,O=C([C@@H](c1ccccc1)n1sc2ccccc2c1=O)N1C[C@@H](CO)[C@H](CO)C1
252,17047,-10.3291,COc1ccccc1C[C@@H](C)CC(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1
253,2555,-10.3283,C[C@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@](C)(O)c3cccc(Cl)c3)cn2)C[C@H](C)O1
254,3268,-10.3272,O=C(NCCC(c1ccccc1)c1ccccc1)c1n[nH]c(=O)[nH]c1=O
255,11447,-10.3221,O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC[C@H](N2CC[NH2+]CC2=O)C1
256,277,-10.321,CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)o1
257,7227,-10.3203,C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@H]2CC(C)(C)c3ccccc32)C1
258,8150,-10.3201,O=C(NC1CCN(C(=O)[C@@H]2NCCOc3ccccc32)CC1)c1ccc(F)cc1
259,16036,-10.3181,C[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)C[C@@H](c2ccccc2)O1
260,1247,-10.3169,OC[C@@]1(F)CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1
261,1969,-10.3162,O=C(c1cc2ccccc2n1Cc1ccccc1F)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1
262,14397,-10.3157,Cc1cc(CC(=O)N[C@@H]2C[C@@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)n[nH]1
263,11038,-10.3149,COc1cccc2c1OC[C@H](NC(=O)c1cc(=O)[nH]c3ccc(F)cc13)C2
264,18908,-10.3148,O=C1C[C@@]2(CCN(C(=O)CCc3cnn(-c4ccccc4)c3)C2)CN1
265,10829,-10.3088,C[C@]1(c2ccc(CNC(=O)c3cc4c(C(F)(F)F)cc(=O)[nH]c4o3)cc2)NC(=O)NC1=O
266,15021,-10.3081,O=C(c1c[nH]cc1Cc1ccccc1)N1CCC(OCCO)CC1
267,7891,-10.3027,NC(=O)NC[C@@H]1CCCN(C(=O)NCCc2ccccc2C(F)(F)F)C1
268,17072,-10.3018,CCNC(=O)CCCC(=O)N1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1
269,3292,-10.3011,O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CC2(CCC2)c2c(F)cccc21
270,4936,-10.3007,COCCCNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1
271,19999,-10.2996,NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3ccccc3)CC2)C1
272,11147,-10.2866,C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3c4ccccc4C[C@@H]3O)cn2)CC1
273,16196,-10.2865,Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C
274,859,-10.2863,O=C([C@@H](O)Cc1ccccc1)N1CCC(c2ccc(F)cc2)CC1
275,19827,-10.2817,CCc1ccc(O)c(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)c1
276,3745,-10.2803,COc1cccc(C[C@H](NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)C2CC2)c1
277,13289,-10.2797,Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O
278,4387,-10.2767,Cc1cc(F)ccc1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O
279,4273,-10.2747,O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cc(Cl)cc2cccnc12
280,9760,-10.2739,CS(=O)(=O)c1cc(CNC(=O)C2(O)CCCC2)cc(C(F)(F)F)c1
281,17708,-10.2695,O=C(NCC1(C2CC2)CC1)[C@@H]1CCCN1C(=O)Cc1ccccc1
282,9428,-10.268,NC(=O)C1(O)CCN(C(=O)c2scnc2C2CCCC2)CC1
283,10422,-10.2672,Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCc2c(F)ccc(F)c2C1
284,5868,-10.2652,CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)C2(c3cccc(C)c3)CCC2)cc1
285,18800,-10.2632,CO[C@H]1CCC[C@@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1
286,6327,-10.2632,CCc1ccc(CCNC(=O)c2ccc(C3(O)COC3)cc2)cc1
287,9870,-10.256,CNC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1
288,8164,-10.2542,O=C(C/C=C\c1ccccc1F)N[C@@H]1CCN(c2cc(=O)[nH]c(=O)[nH]2)C1
289,18457,-10.2512,CN(C(=O)[C@@H]1[C@H]2[C@H]3C=C[C@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]34)[C@@H]12)[C@H]1C[C@H](c2ccccc2)C1
290,18634,-10.2506,O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC(COc2ccccc2)CC1
291,6497,-10.25,COCC1(O)CCN(C(=O)c2cc(C(F)(F)F)ccc2F)CC1
292,8971,-10.2498,O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1cc(=O)[nH]c2ccc(F)cc12
293,15000,-10.2492,O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCC[C@H](N2CC[NH2+]CC2=O)C1
294,16637,-10.2473,O=C1C[C@@H](Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)C(=O)N1
295,8345,-10.2466,Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@H]2C[C@@H](C)O)cc1
296,19731,-10.245,O=C([C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(C(F)F)cc1)N1CCCC1
297,10008,-10.2384,COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(C(=O)NC(N)=O)c3)CCC(=O)N2C)cc1
298,16916,-10.2382,C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1c[nH]c(=O)c2ccccc12
299,1032,-10.2367,O=C(CCCc1c[nH]c2ccccc12)N[C@H]1C[C@H](Cn2ccnc2)C[C@H]1O
300,3916,-10.2358,NC(=O)c1ccccc1CCC(=O)N1Cc2ccc(O)cc2C2(CC2)C1
301,18113,-10.2357,NC(=O)C[C@H](Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1
302,818,-10.2349,O=C(N[C@H]1CCCCNC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
303,9285,-10.2329,CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1
304,1729,-10.2314,Cc1cc(C(=O)N[C@H]2[C@@H]3CCO[C@H]3C23CCC3)nc2nc(O)[nH]c(=O)c12
305,12693,-10.2279,O=C(CCc1nc(-c2ccoc2)no1)N1CCC[C@@](O)(C(F)(F)F)CC1
306,19036,-10.227,O=C(CCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)NCc1cccnc1
307,3878,-10.2264,O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](C(F)(F)F)[C@H](CO)C1
308,10198,-10.2262,COc1cc(OC)cc(C2(F)CCN(C(=O)c3ccc(=O)n(-c4cnn(C)c4)c3)CC2)c1
309,12115,-10.2248,Cn1cc(-n2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2=O)cn1
310,18339,-10.2242,O=C(c1ccnc(-c2ccccn2)n1)N1CC[C@@H]2CC[C@H](O)[C@H]21
311,5677,-10.223,Cc1ccn(C[C@](C)(O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)c(=O)c1
312,8009,-10.2192,C#CCNC(=O)c1cccc(-c2noc([C@@H]3CC(=O)N(C)[C@@H]3c3ccc(F)cc3)n2)c1
313,19552,-10.2181,FC(F)(F)c1cc(-c2cncc(-c3nnn[nH]3)c2)ccc1Cl
314,20278,-10.2159,O=C(NCc1nc2c(c(=O)[nH]1)COCC2)C1(c2c(F)cccc2F)CCC1
315,20282,-10.2149,C[C@@H](c1ccccc1)[C@@H](NC(=O)c1csc(N2CCCCC2)n1)C(N)=O
316,9780,-10.2128,CCN(CC)c1nc2sc(C(=O)N3CC[C@](O)(c4ccc(F)cc4)C3)cc2s1
317,19361,-10.2115,COc1cc(Cc2noc(C3(Cc4ccccc4F)CC3)n2)ccc1S(C)(=O)=O
318,4308,-10.2091,NC(=O)c1cccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1
319,13516,-10.2057,COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
320,16022,-10.2051,COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](N)CC1CCCCC1
321,9075,-10.2034,O=C(c1cccc(-c2c(F)cccc2F)c1)N1CCC[C@H](O)C1
322,13776,-10.1984,O=C1C[C@H](CNC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)CN1
323,11144,-10.196,Cc1noc(C2CCN(C(=O)[C@H](Cc3ccccc3)NC(N)=O)CC2)n1
324,2840,-10.1953,O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)N2CCc3ccccc32)C1
325,6913,-10.194,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2nnnc2N)c1
326,18114,-10.194,NC(=O)C[C@@H](Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1
327,18143,-10.1937,Cc1c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)oc2ccc(F)cc12
328,11261,-10.191,O=C(NCC(=O)N1CCc2ccccc2C1)c1ccc2c(=O)n3c(nc2c1)CCCCC3
329,5237,-10.1869,O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)c1ncoc1-c1ccc2c(c1)OCCO2
330,5687,-10.1861,CC(C)(C)c1ccc(C2(NC(=O)CN3CCS(=O)(=O)CC3)CCCC2)cc1
331,20281,-10.1834,C[C@H](c1ccccc1)[C@@H](NC(=O)c1csc(N2CCCCC2)n1)C(N)=O
332,2968,-10.1831,CC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1
333,11913,-10.1829,O=C(NC1(c2ccc(F)cc2)CCOCC1)c1ccn(-c2ccccc2F)n1
334,14799,-10.1827,Cc1ccc(-c2ccsc2C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1
335,20509,-10.1826,Cc1cc(C#N)ccc1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1
336,9604,-10.181,Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@@H](O)C1CCCCC1
337,17111,-10.1801,O=C(Cc1cccc(OCC2CC2)c1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@@H]1O
338,377,-10.1783,C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(c3ccnc4ccccc34)CC2)CC1=O
339,15939,-10.1776,O=C(NC[C@@H](CO)c1ccc(F)cc1)c1nsc2ccccc12
340,1087,-10.1725,NC(=O)C1(O)CCN(C(=O)c2cccc3cc[nH]c23)CC1
341,11312,-10.1697,COc1ccc(CC2CCN(C(=O)[C@H](O)c3cccnc3)CC2)cc1
342,14781,-10.1679,CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1cn(C)nc1C
343,1580,-10.1625,CCc1nnc([C@@H]2C[C@H](O)CN2C(=O)COc2ccc(F)c(Cl)c2)o1
344,3826,-10.1624,Cc1cc([C@@H]2CCCN(C(=O)CCn3cnc4sc(C)c(C)c4c3=O)C2)[nH]n1
345,1,-10.1615,CC[C@](O)(C(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1cccc(Cl)c1
346,12694,-10.1559,CC[C@H](C)Sc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1
347,16786,-10.1557,O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc(F)cc(F)c1
348,14300,-10.1555,O=C(N[C@H]1COc2cc(F)cc(F)c21)c1occc1COc1ccccc1
349,14043,-10.1551,CCN(CC)C(=O)c1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2ccccc2)cc1
350,13286,-10.1544,CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2c3c(nc4ccccc24)CCC3)C1
351,11519,-10.1533,Cc1nc2c(C(=O)N3CCc4ccccc4[C@@H]3c3ccccc3)ccnc2[nH]1
352,9647,-10.1529,COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cn1
353,10325,-10.1528,Cc1noc([C@H]2CCCN(C(=O)NC[C@H]3CCN(c4ccccc4)C3)C2)n1
354,15099,-10.1424,COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC[C@H]2CCO[C@@H]2C(C)C)cc1
355,4775,-10.1421,O=C(c1cc(F)c(Oc2ccccc2)c(F)c1)N1C[C@@H](O)C[C@H]1CO
356,1828,-10.1395,COc1cccc(C[C@@]2(C(=O)N[C@H]3CCCC[C@@H]3O)C[C@H]3CC[C@@H]2C3)c1
357,19953,-10.1377,Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NC[C@@H]3CNC(=O)O3)cc12
358,15878,-10.1336,C[C@]1(CNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CCO[C@@H]1C1CC1
359,12545,-10.1312,CN(C)c1cccc(CCc2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)c1
360,6637,-10.1301,CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(F)c(NC(N)=O)c1
361,19323,-10.1264,NC(=O)c1cccc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)cn2)c1
362,5995,-10.1255,C[C@H]1CN(C(=O)NCc2ccc(C(N)=O)o2)CCN1CC(F)(F)F
363,749,-10.1248,COCc1cccc(NC(=O)N2CCCC[C@H]2c2cc[nH]n2)c1
364,4009,-10.1199,O=C(NCc1noc2c1CCCC2)N1CCO[C@H](CCc2ccccc2)C1
365,3340,-10.119,Cc1ccc(C(=O)N2CCC(NC(=O)Cc3ccc4c(c3)NC(=O)C4)CC2)cc1
366,10004,-10.1174,Cc1nc2c(C(=O)NC3(c4ccccc4)CCC3)cccc2[nH]1
367,14826,-10.1155,O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCO[C@@H](C(F)(F)F)C1
368,6294,-10.1146,O=C(NCCNC(=O)N1CCC[C@@H]1Cc1ccccc1)c1ccco1
369,4794,-10.1109,Cn1c([C@@H]2[C@H](C3CC3)CCN2C(=O)COCCc2cccc(F)c2)n[nH]c1=O
370,1696,-10.1079,CC(=O)N[C@H]1CCCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)C1
371,11745,-10.1059,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCC[C@H]1c1ccc(F)cc1
372,9733,-10.1057,CC(C)OCc1cccc(-c2cccc([C@H]3CC(=O)NC(=O)N3)c2)c1
373,8428,-10.104,Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc32)CC1
374,4565,-10.1025,O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1
375,1546,-10.1003,O=C1CCc2cc(CC(=O)N[C@H]3C[C@H](Cn4cccn4)C[C@@H]3O)ccc2N1
376,1716,-10.0995,O=C(NCc1ncccn1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O
377,5665,-10.0994,Cn1cc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)c(-c2cccnc2)n1
378,8012,-10.0984,C#CCNC(=O)c1cccc(-c2noc([C@H]3CC(=O)N(C)[C@H]3c3ccc(F)cc3)n2)c1
379,11423,-10.0953,Cn1ccc2c(C(=O)N3CCC[C@@H](c4cn[nH]c4)C3)cccc21
380,3754,-10.0953,C[C@@H]1C[C@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1)C2=O
381,5952,-10.0947,O=S(=O)(Cc1ccc(C(F)F)cc1)NCC1(c2ccccn2)CC1
382,4633,-10.0939,O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)Nc1cc(C2CCOCC2)on1
383,7051,-10.0932,C[C@@H](C(=O)N[C@H]1CCc2cc(Cl)ccc21)N1C(=O)[C@@H]2CCCC[C@H]2C1=O
384,2093,-10.0923,CNc1ccc(Cl)c(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c1
385,16790,-10.0923,CCOc1cccc2[nH]cc(CC(=O)NCC3(c4ccccn4)CCC3)c12
386,3716,-10.0918,C[C@@H](NC(=O)[C@@H](N)CC1CCCCC1)c1ccc(F)c(F)c1
387,3364,-10.0909,CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(Cl)c3ccccc23)C1
388,3994,-10.0897,O=C(NCc1coc2ccccc12)N1CCO[C@]2(CCCOC2)C1
389,12667,-10.0863,CC(C)C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc(-c2nnc[nH]2)no1
390,13165,-10.0857,O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cccc(-c2cc[nH]n2)c1
391,2870,-10.0856,CCCc1nc(C)c(CNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)o1
392,16626,-10.0847,C[C@@H]1Cc2cc(-c3ccc(CNC(=O)[C@H]4CC[C@@]5(CC4)NC(=O)NC5=O)cc3)ccc2O1
393,9690,-10.0837,O=C1C[C@@]2(CCN(C(=O)CCc3nnc(C4CCCC4)o3)C2)CN1
394,5259,-10.0837,O=C(Nc1ccccc1)N1CC[C@@H](Nc2nc(-c3cccnc3)nc3c2CCC3)C1
395,6632,-10.0806,CCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(F)cc4)no3)ccc2c1=O
396,1870,-10.0794,COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2cccc(C)n2)CC1=O
397,10556,-10.0779,Cc1ccc(-c2cccc(CNC(=O)Nc3cccc(N4C(=O)CNC4=O)c3)c2)cc1
398,1423,-10.076,COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(C(N)=O)c1
399,3865,-10.0755,Cc1c(C(=O)N[C@@H](CO)c2ccc(F)cc2)nnn1-c1cccc2cnccc12
400,16153,-10.0735,O=C(Nc1sc2c(c1C(=O)N[C@H]1CC[C@H](O)CC1)CCCC2)c1cccnc1
401,17690,-10.0717,CCc1ncnc(N(C)CC2CCN(C(=O)c3[nH]c4ccccc4c3OC)CC2)c1F
402,18365,-10.0692,O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1
403,7805,-10.069,O=C(NCC1(c2ccccc2)CCOCC1)[C@@H](O)c1cc(Cl)cc(Cl)c1
404,9331,-10.0689,Cc1cccn2c(CC(=O)NCC3(c4ccc(F)cc4)CC3)cnc12
405,3799,-10.0685,FC(F)(F)c1cc(N2CCC3(CCO3)CC2)nc(-c2ccncc2)n1
406,16039,-10.0682,O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
407,12167,-10.0677,O=C(NCc1oc2ccc(Cl)cc2c1-c1ccccc1)[C@H]1CCOC1
408,2674,-10.0673,CCn1c(CCNC(=O)N2CCC3(CCO3)CC2)nc2ccccc21
409,1383,-10.0672,O=C1COC[C@@H](C[C@@H]2CN(C(=O)Cn3ccc4ccccc43)c3ccccc32)N1
410,5319,-10.0667,Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC[C@@H]3C[C@]3(C)NC(=O)NC3=O)c2c1
411,5692,-10.0655,NC(=O)c1cc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)nn1-c1ccccc1
412,15169,-10.0632,Cc1nn(C)c(NC(=O)NCc2cc(F)c(F)c(F)c2)c1-c1ccccc1
413,1457,-10.063,C[C@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@@H]1O
414,8818,-10.0592,COc1cc(-c2noc([C@H]3NCCOc4ccccc43)n2)ccc1C
415,9264,-10.0591,c1cncc(-c2nc3c(c(NCc4nc(C5CC5)no4)n2)CCC3)c1
416,8077,-10.0584,Cc1cc(C[NH2+][C@H]2C[C@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)no1
417,17530,-10.0578,Cc1cc(Oc2ccncc2)ccc1NC(=O)NC[C@]12CC[C@](CO)(CC1)OC2
418,3270,-10.0577,O=C(Nc1ccc2[nH]nc(NC(=O)[C@H]3CCn4ccnc4C3)c2c1)[C@@H]1CCn2ccnc2C1
419,8159,-10.0574,c1cc(NCc2ccc(C3CCC3)nc2)cc(-c2nnc[nH]2)c1
420,9397,-10.0563,CC(C)c1cccc(O[C@@H](C(=O)N2CCC(C(N)=O)CC2)c2ccccc2)c1
421,3570,-10.0557,O=C(Nc1nnc(C2CCOCC2)s1)N[C@H]1C[C@@H]1c1c(F)cccc1F
422,3368,-10.0528,NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1
423,11865,-10.0528,N[C@H](Cc1n[nH]c2ccccc12)C(=O)NCc1cccc2c1CCCN2
424,10522,-10.0504,C[C@@H]1O[C@@H](C)Cc2c(C(=O)N3CCn4c(Cc5ccccc5)nnc4C3)n[nH]c21
425,5425,-10.0487,CNC(=O)Cn1nc(NC(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C
426,5271,-10.047,O=C1CCc2cc(C(=O)N3CCOc4cccc(F)c4C3)c(F)cc2N1
427,8981,-10.047,O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@H](Oc2ccccc2Cl)C1
428,19489,-10.0452,O=C(Cc1cccc(F)c1)N[C@H]1CCC(=O)N[C@H]1c1ccccc1
429,8958,-10.0445,CC(C)c1ccccc1OCC(=O)N1CCc2[nH]ncc2C1
430,1476,-10.043,O=C(NCc1cnn2ccccc12)N[C@H]1CCOC2(CCCC2)C1
431,10664,-10.0425,O=C(N1CCc2[nH]nc(C(F)(F)F)c2C1)C1(c2ccc(Br)cc2)CC1
432,5681,-10.0424,CC(=O)N1CCN(c2ccccc2CNC(=O)c2c(-c3ccccc3Cl)noc2C)CC1
433,10711,-10.0402,CC(C)C[C@H]([NH3+])c1noc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1
434,1251,-10.0397,C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1c[nH]c(=O)c2ccccc12
435,12981,-10.039,O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC[C@@H](c2nnc3ccccn23)C1
436,8498,-10.0354,CC(C)COc1cccc(C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1
437,3906,-10.0343,Cn1cc(-c2ccc(F)c(C(=O)NC[C@]3(C)CCCC[C@H]3O)c2)cn1
438,315,-10.034,O=C(c1cccc(-c2noc(O)n2)c1)N1CCC(c2nnc3n2CCC3)CC1
439,14726,-10.0282,Cc1ccc(CC2CCN(C(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)CC2)cc1C
440,17253,-10.0232,C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2ccn(-c3ccccc3F)n2)C1=O
441,20010,-10.0227,O[C@@]1(c2nc(Cc3ccccc3)no2)CCc2ccccc2C1
442,9528,-10.0226,CC1(C)[C@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@@H]1c2ccccc2C[C@H]1O
443,6766,-10.0193,Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cccc(N2CCCC2=O)c1
444,13511,-10.0192,O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
445,16804,-10.0192,Cc1cncn1C1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1
446,10076,-10.0172,CNC(=O)C[C@@H]1CN(C(=O)NCc2cccc(C(F)(F)F)c2)C[C@@H]1O
447,2037,-10.0139,O=C(c1cccc(F)c1)N1CCCN(C(=O)c2ncsc2-c2ccccc2)CC1
448,1764,-10.0118,C[C@@H]1O[C@@H](C)Cc2c(C(=O)N[C@H]3CC[C@@](O)(C(F)(F)F)CC3)n[nH]c21
449,19825,-10.0092,CCc1ccc(O)c(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c1
450,16304,-10.0087,O=C(NCc1ccc(Cn2ccccc2=O)cc1)N1CC[N@@H+]2CCCC[C@H]2C1
451,4292,-10.0068,NC(=O)N1CCc2cc(NC(=O)c3ccccc3Cn3cncn3)ccc21
452,10287,-10.0049,O=C(NCCc1c(F)cccc1F)[C@@H]1CCCN1C(=O)c1ccccc1
453,7378,-10.0039,CC(C)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)c(O)c1
454,16079,-10.002,O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@H]1Cc1ccc(F)cc1
455,3366,-9.99934,Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCOC[C@@H]1c1ccccc1
456,14916,-9.99742,CC[C@H](C)[C@@H](NC(C)=O)C(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1
457,6566,-9.99453,Cc1nn(CC(=O)N[C@H]2CCOc3ccc(F)cc32)cc1-c1ccccc1
458,10878,-9.99451,O=C1CCc2cc(NC(=O)c3ccc4c(c3)OCC(=O)N4)ccc2N1
459,3149,-9.99302,O=C([C@H]1CC[C@H](OC[C@@H]2CCCO2)CC1)N1CCC(c2ccccc2)CC1
460,14578,-9.99254,O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1)N1CCC[C@H](O)CC1
461,6435,-9.98852,O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCn2cncc2C1
462,14305,-9.98722,O=C1NCCc2cc(OCc3cc(F)ccc3F)ccc21
463,18736,-9.98713,O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCc1ccccc1CN1CCCC1=O
464,13934,-9.98446,C[N@@H+](CC/C=C1\c2ccccc2COc2ccccc21)[C@@H]1CCNC1=O
465,8363,-9.98331,COc1cc2c(cc1F)CC[C@@H]2NC(=O)Cn1c(C)nc2ccccc2c1=O
466,12791,-9.98162,O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CC=C(c2c[nH]c3ncccc23)CC1
467,8978,-9.9812,O=C1CC[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)N1
468,3314,-9.98082,Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@H](O)C12CCCC2
469,113,-9.98015,COc1ccc([C@H]2CCCN2C(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1OC
470,19702,-9.97752,O=C(NCC1(O)CCCCCC1)c1cc2ccccc2oc1=O
471,1294,-9.97736,CC(=O)N1CCC(CNC(=O)N2CC[C@](O)(Cc3cccc(Cl)c3)C2)CC1
472,3905,-9.97711,Cn1cc(-c2ccc(F)c(C(=O)NC[C@@]3(C)CCCC[C@@H]3O)c2)cn1
473,10414,-9.97559,Cc1ccccc1C1(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)CCOCC1
474,14002,-9.9755,C[C@H]1COCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1
475,14218,-9.97496,CC(C)(C(=O)NCc1n[nH]c(=O)[nH]1)c1cccc(C(F)(F)F)c1
476,11839,-9.97438,CC(C)(C(=O)NCc1ccc(OCc2cccc(F)c2)cc1)N1CCOCC1
477,16414,-9.97017,O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)N1CCn2cncc2C1
478,2364,-9.9701,COc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4cccc(O)c4)CC3)sc2C)cc1
479,14956,-9.96652,CC(=O)N[C@H](CC(C)C)c1nc(-c2ccc3[nH]ccc3c2)no1
480,12687,-9.96386,C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(O)c(F)c2)c(F)c1
481,8914,-9.96067,Cc1ccc(Cn2cccc(NC(=O)CC3(O)CCCCC3)c2=O)cc1
482,13767,-9.96067,Cn1ccc(Nc2ccc(C(=O)N3CCC(c4ncc[nH]4)CC3)cc2)n1
483,19106,-9.9588,Cn1ncnc1C(=O)N[C@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1O
484,8249,-9.95832,COc1ccc(CC2CCN(C(=O)NCCNC(=O)C(C)C)CC2)cc1
485,2895,-9.9563,CCN(C)c1ccccc1NC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1
486,5711,-9.9541,Cc1cc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c2n[nH]cc2c1
487,4509,-9.95305,CC1(C)C[C@H](NC(=O)N2CCC(c3ccc(O)cc3)CC2)CCO1
488,19654,-9.95182,Nc1ncnc2c1ncn2C[C@@H]1CC[C@@H](C(=O)N2CCCC3(CCCCC3)C2)O1
489,1694,-9.95174,O=C(CCCc1c[nH]c2ccccc12)NCC(=O)NCc1ccco1
490,335,-9.95048,FC(F)[C@H]1Oc2ccccc2C[C@H]1c1nc(-c2nnc[nH]2)no1
491,4396,-9.9504,Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCCC34CCOCC4)n2)cc1
492,6626,-9.94967,O=C(Cc1n[nH]c2c1CCCC2)N[C@H]1CCCN(C(=O)N2CCCC2)C1
493,1827,-9.94811,COc1cccc(C[C@]2(C(=O)N[C@H]3CCCC[C@@H]3O)C[C@H]3CC[C@@H]2C3)c1
494,9582,-9.94546,CC1(C)CN(C(=O)Nc2cccc(C(N)=O)c2)[C@H]1c1ccccc1
495,8662,-9.9454,COC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2
496,18157,-9.94507,Cn1cc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c(C(C)(C)C)n1
497,5857,-9.94346,CC(=O)Nc1cc(C(=O)N2CCC(CCN3CCOCC3)CC2)ccc1F
498,13633,-9.93813,O=C(COc1ccc(F)cc1)N[C@H]1CCC(=O)N[C@H]1c1ccccc1
499,14953,-9.93792,Cc1ccc(C[C@H]2CCCN2C(=O)N[C@H]2CCCc3nc(C)ncc32)cc1
500,15253,-9.93686,Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)c(C)n1
501,4110,-9.93503,C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(-c2cn[nH]c2)cc1
502,956,-9.93464,CCn1nc(C)cc1C(=O)Nc1ccccc1C(=O)N1CCC(C(N)=O)CC1
503,5138,-9.93448,O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CC[C@H](C2CCOCC2)C1
504,14774,-9.93365,COCC1(O)CCN(C(=O)C2(c3ccc(C)cc3)CCOCC2)CC1
505,16909,-9.93042,N#Cc1ccc(N2CCCN(C(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1
506,6232,-9.92883,O=C1NCC2(CCN(C(=O)C(F)(F)c3cc(F)cc(F)c3)CC2)Oc2ccccc21
507,13069,-9.9283,Cn1ncc2c1CCN(C(=O)c1ccc(Cn3cc(Cl)cn3)cc1)[C@@H]2C(N)=O
508,18465,-9.92748,CN(C(=O)[C@@H]1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]34)[C@@H]12)[C@H]1C[C@@H](c2ccccc2)C1
509,5668,-9.92678,NC(=O)[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCCC(F)(F)C2)C1
510,3316,-9.92648,Cc1ccc2c(c1)[C@@H](NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@H](C)C2
511,6213,-9.92378,Cc1ccc(CCS(=O)(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1
512,20026,-9.92284,C[C@H]1CC[C@H](N2C[C@@H](C(=O)Nc3c[nH]nc3-c3ccccc3)CC2=O)CC1
513,150,-9.92272,CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)C1
514,3407,-9.91991,CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C)c1ccccc1
515,10253,-9.91968,CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Cc2c[nH]c3cc(F)ccc23)C1
516,5152,-9.91907,O=C(N[C@H]1C[C@H]1c1cccnc1)C1CCN(C(=O)CCc2ccccc2)CC1
517,5629,-9.9182,C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc(F)c2[nH]c(=O)ccc2c1
518,8287,-9.91632,N#CC1(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1
519,5309,-9.91455,COc1ccc([C@H](O)CNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cc1
520,14096,-9.91307,O=C(CCc1nc(-c2ccco2)no1)NCc1ccnc(-n2ccnc2)c1
521,6833,-9.91155,COC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)CCC1CCCCCC1
522,9493,-9.9108,Cc1oc2ccccc2c1CNC(=O)N1CCC(CS(N)(=O)=O)CC1
523,8255,-9.90849,CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@]2(O)CCc3ccccc3C2)cc1
524,5617,-9.90822,Cc1n[nH]c(CNC(=O)N[C@@H](C)c2ccc(Br)cc2)n1
525,7002,-9.90663,NC(=O)Nc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1
526,16620,-9.90624,C[C@@H]1CN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)Cc2ccccc21
527,16046,-9.90526,NC(=O)c1cnn2c(C(=O)N3[C@H]4CC[C@@H]3C=C(c3ccccc3)C4)ccnc12
528,9219,-9.90521,CCc1cccc2c(CC(=O)N3CCC4(CC3)NC(=O)[C@@H](CC)O4)c[nH]c12
529,12504,-9.90507,C[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccccc2Cn2ccnc2)C1=O
530,5709,-9.90501,O=C(C[N@@H+]1CC[C@](F)(CO)C1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1
531,19845,-9.90495,O=C(NCc1cccc(NC(=O)C2CCC2)c1)N[C@@H]1c2ccccc2C[C@H]1O
532,2107,-9.90477,O=C(c1ccnc(-c2ccc(Cl)cc2)n1)N1CCOC2(CCOCC2)C1
533,16035,-9.90383,C[C@H]1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)C[C@H](c2ccccc2)O1
534,16233,-9.90335,CC[C@]1(C)CN(C(=O)NCc2cc(C)nc(N3CCCC3)c2)CCO1
535,15672,-9.90235,O=C1COC[C@H](C[C@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)c3ccccc32)N1
536,3839,-9.90211,NC(=O)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1
537,8403,-9.90078,O=C(Nc1cccn(CC(F)(F)F)c1=O)N1CCO[C@@H](Cc2ccccc2)C1
538,10801,-9.8966,O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CCOCC1
539,17367,-9.89505,CC(C)(C)c1csc(CNc2nc(-c3cccnc3)nc3c2CCC3)n1
540,4343,-9.89395,CCc1n[nH]c(C(=O)N2C[C@@H](NC(=O)CCc3cn[nH]c3)[C@H](c3cnn(C)c3)C2)c1Cl
541,1853,-9.89322,CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1
542,2845,-9.89097,CCn1nc(C(C)C)cc1C(=O)N1CCOc2cc(O)ccc2C1
543,6017,-9.89095,CC[C@H](C)[C@H](O)C(=O)N1CCC[C@@H](Nc2ccccc2)C1
544,19264,-9.89043,O=C(c1cc(O)ccc1C(F)(F)F)N1CCN(C2CC2)C(=O)C1
545,11331,-9.88967,CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)c2cc(F)ccc2OC)c1=O
546,4752,-9.88958,CCc1nnc([C@@H]2C[C@H](O)CN2C(=O)[C@H]2COc3ccc(Cl)cc3C2)o1
547,17516,-9.88906,Cc1ccc(O)cc1C(=O)N1CCC[C@@H]2c3ncn(C)c3CC[C@@H]21
548,11744,-9.88886,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CCCC[C@@H]1c1ccc(F)cc1
549,1494,-9.88878,O=C(Nc1[nH]nc2ccc(F)cc12)[C@H]1CCOc2ccc(Cl)cc21
550,1392,-9.88641,COc1cccc(CC2CCN(C(=O)c3nccnc3C(N)=O)CC2)c1
551,5435,-9.88494,O=S(=O)(Nc1cccc2c1OCCC2)c1ccc2c(c1)CCCO2
552,555,-9.88491,CC(C)(C)c1nc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cs1
553,1451,-9.88473,O=C(N[C@@H](CO)C1CC1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
554,735,-9.88464,O=C(c1c[nH]nc1-c1cc2ccccc2o1)N1CCO[C@]2(CCCOC2)C1
555,12843,-9.88303,COC(=O)[C@@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
556,13616,-9.88179,CCc1nnc([C@@H]2C[C@H](O)CN2C(=O)c2csc3ccccc23)o1
557,6328,-9.88162,CC(C)OCc1cccc(-c2ccc3c(c2)NC(=O)NC3)c1
558,8395,-9.8809,O=C(C1CC1)N1CCN(C(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)CC1
559,18266,-9.88084,O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)N1[C@H]2CC[C@@H]1[C@H](CO)C2
560,14384,-9.8805,COCCn1ccc2c(C(=O)N[C@H]3C[C@H](Cn4cccn4)C[C@@H]3O)cccc21
561,12945,-9.87952,O=C(NCc1cccc(O)c1)NC1CCN(C(=O)C2CC2)CC1
562,6159,-9.87916,CC(C)c1ccc(Cn2nccc2NC(=O)N2CCO[C@@]3(CCCOC3)C2)cc1
563,1886,-9.87896,Cc1n[nH]cc1C1CCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CC1
564,18172,-9.87648,CN(Cc1cc2ccccc2[nH]1)C(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1
565,11030,-9.87382,Cc1nc([C@@H]2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1
566,15007,-9.87294,O=C(NCc1nc(C(F)(F)F)c[nH]1)[C@H]1C[C@@H]1C1CCCCC1
567,4175,-9.87216,C[NH+](C)CC1CCN(C(=O)NC[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1
568,13505,-9.87168,C[C@H]1CC[C@](O)(c2nc(CS(=O)(=O)NC3CC3)no2)CC1
569,4800,-9.87095,O=C(CCc1[nH]nc2c1CCCC2)N[C@@H]1C[C@@H](Cn2cccn2)C[C@@H]1O
570,5250,-9.86529,CCC[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
571,5147,-9.86362,CCc1ccccc1CC(=O)N[C@H]1CCO[C@]2(C1)C[C@@H](C(=O)[O-])C2
572,4036,-9.86237,O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1onc2c1CCCC2
573,19876,-9.8618,C[C@@H]1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)Cc2ccccc21
574,14661,-9.86062,Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1
575,19247,-9.86027,O=C(N[C@H]1CCc2c(F)cccc21)N[C@H]1CCCC12CCOCC2
576,12547,-9.85805,NC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC(=O)N2CCCCCC2)CC1
577,14355,-9.85754,C[C@@]1(c2ccccc2)C[C@@H]1C(=O)NCc1cncc(O)c1
578,9922,-9.85612,O=C(NC1(CCO)CCOCC1)c1noc2c1CCc1ccccc1-2
579,16426,-9.85545,CCc1cc(NC(=O)N2CCC[C@@H](C(N)=O)C2)c2ccccc2n1
580,15244,-9.85529,C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1n[nH]c2c1CCC2
581,8454,-9.85495,C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1
582,571,-9.85483,Cn1ccnc1[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C#N)cc1)c1ccccc1F
583,4642,-9.85476,COc1cccc(C(=O)N[C@H]2CCC(=O)N[C@H]2c2ccccc2)c1
584,13855,-9.85418,NC(=O)C1(O)CCN(C(=O)COc2ccccc2F)CC1
585,11361,-9.854,O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CCC(n2ccnc2)CC1
586,3904,-9.8539,Cn1cc(-c2ccc(F)c(C(=O)NC[C@]3(C)CCCC[C@@H]3O)c2)cn1
587,12000,-9.85325,Cn1nccc1[C@@H]1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1
588,12932,-9.85309,Cc1cnc(-c2nc(-c3cccc(-n4c(C)c[nH]c4=O)c3)no2)c(C)c1
589,11687,-9.8525,C[C@@H](NC(=O)N[C@H]1CC[C@@H]2CCC[C@@H]2C1)c1nc2ccccc2[nH]1
590,19940,-9.8519,CN(C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)[C@@H]1CCOC1
591,17341,-9.85101,C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@@H](O)c1ccccc1F
592,9074,-9.84985,NC(=O)c1cnccc1N1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1
593,19428,-9.84913,O=C1NCCN1c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1
594,4434,-9.84739,O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccc(NC(=O)c2ccncc2)cc1
595,2508,-9.84703,O=C(NCC1([C@H](O)c2ccccc2)CC1)c1[nH]nc2c1CCCC2
596,20350,-9.84502,C[C@@]1(c2ccc(CNC(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)NC(=O)NC1=O
597,5701,-9.84389,Cc1cc([C@@H]2CCCN(C(=O)Cn3cc(C(N)=O)c4ccccc43)C2)[nH]n1
598,1422,-9.84376,COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(C(N)=O)c1
599,12934,-9.84207,CC[C@H](NC(=O)N1[C@H]2CC[C@@H]1[C@H](CO)C2)c1ccc(Cl)cc1
600,18794,-9.84194,O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)N1CCc2cc(F)ccc2C1
601,17127,-9.84192,C[C@@H]1CCCCCN1C(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1
602,10374,-9.84168,COC1(C)CCN(C(=O)c2cccc(Nc3cnccn3)c2)CC1
603,11419,-9.84116,Cc1ccc(C[C@H](NC(=O)c2n[nH]c3c2CCC3)c2ccccn2)cc1
604,14168,-9.84072,CCC(CC)C(=O)N1CCC(NC(=O)N2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)CC1
605,3813,-9.83839,CC(C)n1ncc2c(C(=O)N3CC[C@H](C)C3)cc(-c3ccc4c(c3)OCCO4)nc21
606,13562,-9.83816,COc1ccc([C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)cc1
607,8853,-9.83535,O=C(CCOc1ccccc1F)N[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1O
608,20117,-9.83533,CC1(C)C[C@H](NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c2ccccc21
609,17717,-9.83502,O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCO[C@@H]3CCCC[C@H]32)C1
610,7113,-9.83486,Cc1cc(C)c2c(c1)N(CC(=O)N1c3ccc(S(N)(=O)=O)cc3C[C@@H]1C)CCC2
611,20110,-9.83414,CC[C@@H]1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC(=O)N1
612,9612,-9.83348,O=C(c1ccc2[nH]cnc2c1)N1CCN(c2nc(-c3ccccn3)nc3c2CCC3)CC1
613,7328,-9.83334,Cc1cc(N2CCN(C(=O)c3n[nH]c4c3C[C@H](C)O[C@@H]4C)CC2)nc(C(C)C)n1
614,308,-9.83271,C[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH]c3=O)c2)CC1
615,3131,-9.83257,CCNC(=O)c1ccc(NC(=O)c2cc3c(C(F)(F)F)cc(C)nc3o2)cc1
616,11756,-9.82959,C[C@H](NC(=O)NCc1nc(C(C)(C)C)co1)c1cccc(F)c1F
617,16627,-9.82802,C[C@H]1Cc2cc(-c3ccc(CNC(=O)[C@H]4CC[C@]5(CC4)NC(=O)NC5=O)cc3)ccc2O1
618,20029,-9.82723,O=C(NCc1cccnc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1
619,14552,-9.82614,Cc1nc(C2CCC2)sc1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2c1ocnc1C(N)=O
620,6405,-9.82543,COc1ccccc1C(=O)N[C@@H](C(=O)N1CC[C@H](c2nccn2C)C1)C(C)C
621,7100,-9.82521,NC(=O)c1ncn(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1N
622,6725,-9.82501,O=C(CCc1cccc(Br)c1)N[C@H]1C[C@H](Cn2ccnc2)C[C@@H]1O
623,16553,-9.82489,O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@@H]1O)N1CCCc2ccccc21
624,15837,-9.8247,CC1(C)C[C@H]1C(=O)N1CCC(c2nccc(C3CCOCC3)n2)CC1
625,9896,-9.8242,COc1ccc(F)c(C(=O)NC[C@H]2CC[C@H](c3nc(C)n[nH]3)O2)c1F
626,11169,-9.82202,O=C(Nc1cccc(F)c1)C1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1
627,1370,-9.82129,O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1CCn2ccnc2C1
628,7164,-9.81957,O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cccc2c1CCC2
629,1195,-9.81748,NC1(CNC(=O)c2ccc(OCc3ccccc3)cc2)CCC1
630,8763,-9.81536,O=C(NCCC(=O)N1CCCCC1)NC[C@@H]1CCCc2ccccc21
631,2584,-9.8149,O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CCC[C@@H](Cn2ccnn2)C1
632,1108,-9.81195,Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@H]1CCCC12CCOCC2
633,16464,-9.81139,COc1ccc(C2(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)CCOCC2)cc1
634,18051,-9.81099,O=C(NCc1cccnc1N1CCOCC1)N1CCC[C@H]1Cc1ccccc1
635,3021,-9.8108,CC(C)C(=O)N1CCN(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)CC1
636,14531,-9.81056,O=C(NC[C@@H](O)c1cccc(Cl)c1)c1c[nH]nc1-c1ccsc1
637,18546,-9.80971,COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)c1
638,855,-9.80865,COc1ccccc1C1(CNC(=O)[C@H]2CN(C)C(=O)c3ccccc32)CC1
639,19278,-9.80863,O=C(NCc1ccc(-n2ccnc2)nc1)Nc1ccc(CN2CCCC2=O)cc1
640,12391,-9.8083,CNc1nc(C)cc(C(=O)N2CCN(c3ccccn3)CC2)n1
641,9610,-9.80722,NC(=O)c1cccc(CCNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1
642,20058,-9.80627,Cc1c(CCC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cnn1C
643,1701,-9.80547,O=C(NCc1ccc(OCC2CC2)nc1)N1CCC2(CCO2)CC1
644,12017,-9.80399,COC[C@@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCc2ccccc2)C1
645,6871,-9.80157,C[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccccc1
646,525,-9.80055,CC(C)c1ccc(-c2nc(C(=O)NCCC(=O)NCc3cccnc3)cs2)cc1
647,5418,-9.79924,Cc1ccn(-c2ccccc2NC(=O)N2CCN(C(=O)[C@H](C)O)CC2)n1
648,8143,-9.79881,O=C(Cc1ccsc1)N[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1
649,8391,-9.79769,CC[C@H](CC(=O)N1CCC(O)(c2nnn[nH]2)CC1)c1ccccc1
650,11305,-9.79744,COc1ccc(-c2ccc(C(=O)NCCC3(O)CCC3)c(F)c2)c(F)c1
651,4966,-9.79721,C[C@H](O)c1ccc(CNC(=O)N2CC[C@@H](c3ccccc3)C2)cc1
652,9009,-9.79694,CCc1cc2c(Nc3ccc(CN4CCCC4=O)cc3)ncnc2s1
653,11514,-9.79687,CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1
654,2548,-9.79619,O=C(c1cccc(NCc2cnc3ccnn3c2)c1)N1CCC[C@H](O)C1
655,20041,-9.79586,CCc1cc(C(=O)N[C@@H](CC)[C@@H](O)c2c(F)cccc2F)cc(=O)[nH]1
656,17296,-9.79528,COc1ccccc1C(=O)NCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21
657,15798,-9.79527,O=C1C[C@H](CNc2ncnc3c2ncn3C2CC2)CN1Cc1ccccc1
658,13100,-9.793,COc1cccc(C(=O)NCC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1
659,4001,-9.79223,CN(C[C@H]1CCCC[C@@H]1O)c1ccc2nnc(-c3ccccc3)n2n1
660,4325,-9.79128,Cn1nc2c(c1NC(=O)C(=O)N1CCc3c(cnn3-c3ccccc3)C1)CCCC2
661,12978,-9.78799,CS(=O)(=O)Nc1ccc(-c2csc(Cc3ccc(F)cc3)n2)cc1
662,5408,-9.78696,Oc1ccc(Sc2ccc3nnc(-c4ccccc4)n3n2)cc1
663,14299,-9.78553,O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1occc1COc1ccccc1
664,12830,-9.78458,Cn1nc(-c2ccccc2)c2c(NC(=O)[C@H]3C[C@H]3C(F)F)n[nH]c21
665,17019,-9.78377,COC[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(C(F)(F)F)n1
666,888,-9.78332,O=C(NCC1(c2ccccc2)CCCC1)C(=O)Nc1cnc2c(F)cccc2c1
667,8619,-9.78242,Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[C@H]1c1ccccc1
668,11855,-9.78157,CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O
669,6553,-9.78152,Cc1n[nH]c(C)c1CCC(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1
670,16655,-9.78068,CCN1CCN(C2CCN(C(=O)c3cccc([C@H]4CCOC4)c3)CC2)C1=O
671,19310,-9.78008,O=C(c1cccc(C(F)(F)F)c1)N1CCC(C(=O)N2CCOCC2)CC1
672,2053,-9.7788,CC(C)(C[C@H]1CCCN(C(=O)[C@H]2[C@H]3CC[C@H](CC3)[C@@H]2C(F)(F)F)C1)C(N)=O
673,14787,-9.77732,O=C1C[C@@H](NC(=O)C2(c3ccc(F)cc3F)CCCC2)CN1CCN1CCOCC1
674,7991,-9.77702,O=C(NCc1nnn[nH]1)c1cc(COc2c(Cl)cccc2Cl)on1
675,19388,-9.77687,CCn1ccnc1[C@H]1OCCC[C@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2
676,18788,-9.77631,CC(C)n1cc2c(n1)[C@@H](NC(=O)Cc1c[nH]c3cccc(Cl)c13)CCC2
677,10078,-9.77561,CNC(=O)C[C@@H]1CN(C(=O)NCc2cccc(C(F)(F)F)c2)C[C@H]1O
678,11812,-9.77297,O[C@H](COc1ccccc1)C[NH+]1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
679,208,-9.7725,Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1
680,1876,-9.77166,Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)n1
681,16037,-9.76958,C[C@H]1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)C[C@@H](c2ccccc2)O1
682,10578,-9.76866,O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)s1
683,16985,-9.76639,O=C(c1cccc(N2CCCC2)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1
684,11399,-9.76628,Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCn4c(nnc4C(F)F)C3)c12
685,14045,-9.766,COc1ccc(-c2noc([C@H]3CCc4[nH]ncc4C3)n2)cn1
686,17469,-9.76157,CC[C@@H]1CN(c2ccccc2)CCN1C(=O)Cc1c[nH]c2ncccc12
687,19291,-9.76122,FC(F)(F)c1nnc2ccc(NCC3(c4cccc(Br)c4)CCOCC3)nn12
688,11287,-9.7609,Cc1nc2cc(C(=O)N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc2n1-c1ccccc1
689,14543,-9.76037,O=C(C[C@@H]1CCc2ccccc2C1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1
690,18864,-9.75823,O=C(c1ccc(F)c2occc12)N1CCC[C@@H](N2CCNC2=O)C1
691,14007,-9.75759,Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCOC2(CCC2)C1
692,18142,-9.75546,Cc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)oc2ccc(F)cc12
693,13403,-9.75491,O=C(c1ccc2n[nH]c(=O)n2c1)N1CCc2cc(F)ccc21
694,5089,-9.75369,Cn1ncc2c(N3CCN(C(=O)c4ccc5[nH]cnc5c4)CC3)ncnc21
695,14079,-9.75263,CCCc1occc1C(=O)N1CCC(N2CCCNC2=O)CC1
696,850,-9.75043,C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(N2CCOC2=O)c1
697,1358,-9.75029,CCC(=O)Nc1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1
698,12027,-9.75027,Cc1c(NC(=O)c2cc(C(F)(F)F)n[nH]2)cccc1C(=O)N1CCOCC1
699,18703,-9.74991,CO[C@H]1[C@H]2C[C@H]3CN(C(=O)Nc4c(-c5cnn(C)c5)nc5ccccn45)[C@@H]1[C@H]3C2
700,18524,-9.7495,CN(CC1(O)CCCC1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1
701,17544,-9.74945,CC(C)OCc1ccccc1CC(=O)N[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1O
702,538,-9.74944,COc1ccc(Nc2ncnc3c2cnn3C)cc1NC(=O)C1CCCCC1
703,8232,-9.74848,O=C(NCc1cccc(Cn2cnc3ccccc32)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1
704,14514,-9.74758,Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)nc21
705,6390,-9.74602,CNC(=O)NC1CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C1
706,1354,-9.74528,C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)c2ccccc21
707,3816,-9.74353,CSc1ccc(Cn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)cc1
708,20435,-9.74241,O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1
709,1289,-9.73878,CCO[C@H](C(=O)Nc1cnc2[nH]nc(C)c2c1)c1ccccc1
710,4563,-9.73833,Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1
711,16618,-9.73818,O=C1CCC[C@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)N1
712,7528,-9.73774,NC(=O)[C@H]1CN(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCO1
713,12798,-9.73548,CS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)c1
714,2706,-9.7346,Cc1cc(C(=O)NCCOc2ccccc2-c2ccccc2)[nH]n1
715,2921,-9.73457,C[C@@H]1Cc2c(C(=O)NCCOc3ncccc3C(F)(F)F)n[nH]c2[C@@H](C)O1
716,6450,-9.73451,O=C(Nc1ccc(CN2CCCC2=O)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1
717,18582,-9.73322,COc1cccc(-c2cc(C(=O)Nc3cc(CO)ccc3C)[nH]n2)c1
718,16569,-9.73317,O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@@H]1O)c1c[nH]nc1-c1ccc(Cl)cc1
719,10415,-9.73212,Cc1ccccc1C1(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)CCOCC1
720,8644,-9.73134,C[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CCCOC1
721,12664,-9.73118,CNC(=O)c1ccc(NC(=O)[C@H](N)Cc2cccs2)c(C)c1
722,8770,-9.7278,Cn1c(=O)[nH]c2ccc(C(=O)NCC3(c4ccccc4Cl)CCOCC3)cc21
723,16308,-9.7274,Cc1nnc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1C
724,14319,-9.72732,CCc1ccc(C(=O)N2CCN(C(=O)c3coc(=O)c4ccccc34)CC2)cc1
725,15198,-9.72511,CC[C@H](CC(=O)Nc1c(C)ccn(C)c1=O)c1ccc(OC)cc1
726,10945,-9.72286,CN1C(=O)C[C@@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H]1c1nccn1C
727,1926,-9.72285,O=C(Nc1cccc(F)c1)N1CCC([C@@H](O)C(F)(F)F)CC1
728,120,-9.7224,CC1(C)C[C@H](NC(=O)NCC2(c3ccc(F)cc3)CC2)CCO1
729,14209,-9.72231,Cc1ccc2nc(CNC(=O)NC3CCC4(CCOCC4)CC3)cn2c1
730,12674,-9.72055,O=C(NCc1csc(-c2ccccc2)n1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21
731,5853,-9.71954,Cc1cc(C)cc(C2(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2)c1
732,14508,-9.71936,O=C(Cc1ccccc1)NCCC(=O)N1CCO[C@H]2CCCC[C@H]21
733,8666,-9.71874,O=C(C[C@@H]1OCCc2ccccc21)NS(=O)(=O)Cc1cccc(F)c1F
734,7647,-9.71865,COc1ccc(C[C@@H]2CCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)cc1
735,9567,-9.71836,O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1cnc2n1CCCC2
736,8751,-9.71829,C[C@H](NC(=O)[C@]1(C)CCC(=O)NC1)c1ccc(-c2cccnc2)cc1
737,4179,-9.71789,O=C(NC[C@@H]1CCCCC1(F)F)N1CCC(c2c[nH]cn2)CC1
738,19480,-9.71738,O=C(CC[C@H]1CCCOC1)NS(=O)(=O)Cc1cccc(F)c1
739,20143,-9.71723,C[C@H](NC(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1)c1ccccc1
740,14979,-9.71702,Cc1c(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)nnn1Cc1ccc(F)cc1
741,17052,-9.71702,O=C(Cc1c[nH]c2ccccc12)N[C@H]1c2ccccc2C[C@@H]1O
742,19184,-9.71698,COc1cc(OC)cc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c1
743,14037,-9.71667,CS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)C1
744,9979,-9.71516,Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c2C)n1
745,18166,-9.71343,CN1CCO[C@@H](CNC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)C1
746,1949,-9.71274,Cn1cc([C@H]2CN(C(=O)NCc3ccc(CO)c(F)c3)CCO2)cn1
747,5685,-9.71261,Cc1cc(CNC(=O)N2CCO[C@H](c3ccccc3Br)C2)on1
748,518,-9.7126,O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC(N2CCNC2=O)CC1
749,5675,-9.71171,O=C([C@H]1CCCN1C(=O)c1ccccc1OC(F)F)N1CC(C2CCOCC2)C1
750,1548,-9.71142,O=C1CCc2cc(CC(=O)N[C@H]3C[C@@H](Cn4cccn4)C[C@@H]3O)ccc2N1
751,11703,-9.71107,C[C@@H](NC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1nc2ccccc2[nH]1
752,4608,-9.70996,CCO[C@H]1C[C@@H](NC(=O)c2cccc(NC(=O)c3cccnc3)c2)[C@@]12CCCO2
753,18098,-9.7095,CC(=O)N[C@H]1CC[C@H](NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C2)CC1
754,1807,-9.70942,C[C@H](COc1ccc(F)cc1F)NC(=O)N1CCC2(CCO2)CC1
755,18807,-9.70938,CN1C(=O)CCc2cc(NC(=O)NC[C@@H](O)c3ccccc3)ccc21
756,8954,-9.70916,Cc1cccc(C2(NC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)CCCC2)c1
757,2055,-9.70849,CC(C)(C[C@H]1CCCN(C(=O)[C@@H]2[C@H]3CC[C@H](CC3)[C@H]2C(F)(F)F)C1)C(N)=O
758,17502,-9.70782,O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC2(CC1)CC2(F)F
759,17084,-9.70708,CN(C)C(=O)N1CCC(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1
760,1715,-9.70588,CN(CCNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1
761,1378,-9.70545,CC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3C)cs2)CC1
762,19240,-9.70538,CC(C)(C)C(=O)NCCC(=O)N1CCC[C@H]1Cc1ccccc1
763,8456,-9.70498,CNC(=O)C1CCN(C(=O)COc2ccc3c(c2)CCCC3)CC1
764,4394,-9.70381,CC(C)(C(=O)NCc1cc2c([nH]c1=O)CCC2)c1ccccc1Br
765,14618,-9.70253,Cc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c[nH]1
766,19203,-9.70171,C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC(NC(=O)C2CC2)CC1
767,1794,-9.70159,COCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1
768,7232,-9.70092,O=C(c1ccc(C2CCCCC2)cc1)N1CCC[C@H](n2ccnn2)C1
769,16974,-9.69991,CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCN(C(N)=O)C1
770,5400,-9.69973,COc1ccc(C[C@H](C)CNC(=O)N2CCn3cnnc3C2)cc1OC
771,4537,-9.69787,CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[C@H](CO)C1
772,7009,-9.69779,CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)ccc2c1=O
773,3876,-9.6977,Cc1ccc(N2CCN(C(=O)CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4n3)CC2=O)cc1
774,14743,-9.69704,O=C(NC1CC1)[C@H]1CCCN1C(=O)Cn1c(=O)cnc2ccccc21
775,10803,-9.69678,O=C1NCCN1c1ccc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1
776,14367,-9.69585,O=C(NCc1nnc2n1CCCC2)[C@H]1NCCOc2ccccc21
777,10014,-9.69449,O=C(Cn1c(=O)[nH]c2ccccc21)N1CCCN(C(=O)c2ccccc2)CC1
778,8384,-9.6932,Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H](CO)Cc3ccc(F)cc3)C2=O)n1
779,19321,-9.69034,Cn1ncc2c(=O)[nH]c(Nc3cccc(Oc4ccccc4)c3)nc21
780,1571,-9.68966,Cn1cc(C(=O)N[C@H]2C[C@H]2c2ccc(Br)c(F)c2)c2ccccc2c1=O
781,16072,-9.68841,O=C(NCCc1cnc(C2CC2)nc1)N1CCc2c(F)ccc(F)c2C1
782,12244,-9.68579,Cc1ccc(Nc2cccc(C(=O)NCC3(C)CC[NH2+]CC3)c2)nn1
783,16520,-9.68539,NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1
784,9629,-9.68432,Cn1c(=O)c2cc(C(=O)N3CCO[C@@H](c4ccccc4F)C3)cnc2n(C)c1=O
785,13277,-9.68373,O=C(c1cnc(OCc2ccccc2)cn1)N1CCOc2cccc(F)c2C1
786,1905,-9.6837,O=C(Nc1cccc(-c2nc(-c3cccnc3)no2)c1)c1ccc(F)cc1
787,8789,-9.68327,C[C@H](NC(=O)Nc1csnc1-c1ccccc1)C(=O)NCC(F)(F)F
788,20049,-9.68237,C[C@@H](C(=O)N[C@@H]1CCOc2c(F)cccc21)c1c(F)cccc1F
789,9427,-9.68186,CS(=O)(=O)c1ccc2ncnc(N3CC4(CCOCC4)[C@H]3C3CC3)c2c1
790,2936,-9.6807,COc1ccc(-c2ocnc2C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1
791,19746,-9.68062,COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N2CCC(CC(N)=O)CC2)C1
792,16610,-9.68028,CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc1
793,3025,-9.68015,O=C(c1cc(=O)[nH]c2c1CCCC2)N1CCOc2ccccc2C1
794,4533,-9.67984,C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1CCC1
795,16417,-9.67964,COCCn1c(NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21
796,1239,-9.67961,Cc1cc(C)cc(C(=O)Nc2ccccc2-c2nnc[nH]2)c1
797,4668,-9.67924,C[C@H](NC(=O)Nc1nnc([C@H]2CCCO2)s1)c1cccc(C(F)(F)F)c1
798,14246,-9.67812,Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2c2cccc3ccccc23)c1=O
799,14966,-9.67744,COc1cccc(C(=O)NCC(=O)N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1
800,3338,-9.67703,Cn1cc(C(=O)N[C@@H](CC(N)=O)c2ccccc2)c2cc(F)ccc21
801,10493,-9.67697,CCC[C@H](C(=O)NCc1cc(=O)[nH]c(=O)[nH]1)c1ccc(Cl)cc1
802,19996,-9.6769,NC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3ccccc3)CC2)C1
803,436,-9.67634,C[C@H](Nc1cccc(Oc2ccccc2)c1)C1(O)CCOCC1
804,17681,-9.67491,O=C(N[C@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccc2ccccc2c1
805,18636,-9.66736,C[C@@H](CNC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCOCC1
806,3250,-9.6668,Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(NCC4CC4)nc3)c2C)o1
807,3150,-9.66589,O=C([C@H]1CC[C@@H](OC[C@H]2CCCO2)CC1)N1CCC(c2ccccc2)CC1
808,9049,-9.66573,Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3Cc4ccccc4-c4ccccc4C3)C2=O)c1
809,17217,-9.664,O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1
810,16394,-9.66384,Cn1c(CNC(=O)C2(c3ccccc3)CCOCC2)nc2cc(F)ccc21
811,13882,-9.66357,O=C(CCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)NCc1cccnc1
812,147,-9.66315,Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCc3ccc(=O)[nH]c3)cc12
813,17798,-9.66302,CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1C1CCCC1
814,6116,-9.66294,O=C(NCc1ccc(-c2c[nH]cn2)cc1)[C@@H]1CC12CCCC2
815,12621,-9.66273,Cc1cc(C)c2cc(C(=O)N3CCC(n4ncc(C(=O)[O-])c4C)CC3)[nH]c2c1
816,10928,-9.66268,O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccnc(-c2ncc[nH]2)c1
817,12823,-9.65954,Cn1c(=O)n(CCC(=O)N2CCC[C@H](C(N)=O)C2)c2ccccc21
818,3163,-9.65886,Cn1cnnc1-c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1
819,1381,-9.65866,Cn1c(=O)c(CNC(=O)c2ccc(F)c(F)c2F)cc2ccccc21
820,3864,-9.65819,Cc1c(C(=O)N[C@H](CO)c2ccc(F)cc2)nnn1-c1cccc2cnccc12
821,16779,-9.65625,O=C(c1cccc(OCc2cccnc2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2CC1
822,4725,-9.65589,CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2cnc3cc(F)c(F)cc3n2)C1
823,2974,-9.65578,CCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc3cn[nH]c3c2)C1
824,13916,-9.65455,CN(C[C@@H](O)CO)C(=O)c1ccc(C(F)F)c(F)c1
825,6664,-9.65375,Cc1noc([C@@H]2C[C@H](CNC(=O)Cc3ccc(F)cc3)[C@@H](O)C2)n1
826,3966,-9.65127,O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NCc1ccccc1CS(=O)(=O)N1CCOCC1
827,15686,-9.65101,CCc1cc(-c2nc(-c3cnc4cnccn34)no2)c2c(CC(C)(C)C)noc2n1
828,1461,-9.64964,Cc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ncn1
829,14550,-9.64851,Cc1cnc(C(=O)N2CCn3c(C(F)(F)F)nc(C4CC[NH+](C)CC4)c3C2)o1
830,4544,-9.64813,Cn1ncc(NC(=O)[C@H](c2ccccc2)n2cnc3ccccc32)c1C(F)F
831,10692,-9.64744,Fc1ccc(-c2cn3nc(NCCn4ccnc4)sc3n2)cc1
832,19824,-9.64681,CCc1ccc(O)c(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c1
833,10679,-9.64678,CCc1cccc2c1OCC[C@@H]2NC(=O)C1(NC(C)=O)CCCCC1
834,10550,-9.64674,CN(Cc1cccc(O)c1)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F
835,19925,-9.64663,C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)c(F)c1
836,14525,-9.64636,CCN1CCN(C2CCN(C(=O)N[C@H](C)Cc3ccccc3F)CC2)C1=O
837,20269,-9.64563,CC(C)[C@@H](C(=O)Nc1cn[nH]c1)N1Cc2ccccc2C1=O
838,4286,-9.64493,Cn1ncc2c(Nc3cccc(CC(F)(F)F)c3)ncnc21
839,16853,-9.64388,COc1cccc2cc(CNC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)oc12
840,17824,-9.6434,CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1
841,11639,-9.64204,Cc1cnn([C@@H]2CCN(C(=O)NCC3(c4cccc(Br)c4)CC3)C2)c1
842,13344,-9.64122,O=C(CCc1cccc(F)c1F)N[C@H]1CCCCNC1=O
843,3919,-9.64044,Cc1cc(C(=O)N2CC[C@](CO)(c3ccccc3)C2)c2c(C)n[nH]c2n1
844,7352,-9.63962,Cc1n[nH]c(C)c1NC(=O)[C@H]1COc2ccccc2C1
845,10413,-9.63884,O=C(Cc1c[nH]c2ncccc12)NC1(c2ccc(Cl)cc2)CCC1
846,386,-9.63875,O=C([C@H](O)C1CCOCC1)N1CCC(c2nnc3n2CCCC3)CC1
847,2752,-9.63812,C[C@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C[C@H](C)O1
848,9086,-9.63777,O=C(Nc1ccc2c(c1)OCCCO2)Nc1c[nH]nc1-c1nccs1
849,18004,-9.63752,O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCC(N2CCS(=O)(=O)CC2)CC1
850,263,-9.63705,O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1
851,6603,-9.63462,O=C(CCC1CC[NH2+]CC1)N[C@H]1C[C@@H]1c1cccc(F)c1
852,791,-9.63449,NC(=O)C1(O)CCN(C(=O)c2ccnc(OC3CCCCC3)c2)CC1
853,9382,-9.63391,NC(=O)c1csc(C(=O)N2CCC[C@@H]2CCc2ccccc2)c1
854,16045,-9.6332,COc1cc(C)c([C@@H](C)NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)cc1OC
855,13497,-9.63279,CNC(=O)[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)C(C)C)CCO1
856,4079,-9.63236,O=C(N[C@@H](c1ccccc1)C(F)F)N1CCn2nc(C3CC3)cc2C1
857,16164,-9.63221,Cc1cccc(C)c1NC(=O)CNC(=O)NCc1ccnc(-n2ccnc2)c1
858,17070,-9.63037,Cc1cc(=O)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)nn1-c1ccccc1C(F)(F)F
859,8362,-9.62961,CCC(CC)(CO)CNc1ncccc1C(=O)N1CCc2ccccc21
860,5437,-9.62944,C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1cccc(C(F)(F)F)c1
861,16193,-9.62905,NC(=O)[C@H]1CCCCN1C(=O)CCc1ccc2[nH]ccc2c1
862,5549,-9.62618,Cc1cc(=O)c(-c2noc([C@H](c3ccccc3)C(C)C)n2)c2n1CCC2
863,7033,-9.62474,Cc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1F
864,4010,-9.62462,O=C(NCc1noc2c1CCCC2)N1CCO[C@@H](CCc2ccccc2)C1
865,17416,-9.62426,CCc1ccc2occ(C(=O)N3CCC[C@H]3c3cn(C)nc3C)c2c1
866,560,-9.6229,Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2c[nH]c3ncccc23)C1
867,1706,-9.62137,Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@H]1CCC[NH2+]1
868,12264,-9.61994,Cc1nc2n(n1)CCN(C(=O)NCc1ccc(C(C)(C)O)cc1)C2
869,11327,-9.61921,CCOc1ccccc1C(=O)NCC(=O)N[C@H]1C[C@H](c2ccccc2)C1
870,7271,-9.61911,Cn1c(=O)c2cc(C(=O)N[C@H]3CCN(c4ccc(F)cc4F)C3)cnc2n(C)c1=O
871,10037,-9.61837,Cc1coc(-c2ccc(C)c(NC(=O)N3CCC[C@H](c4ccnc(N)n4)C3)c2)n1
872,4834,-9.61804,O=C(c1ccc2[nH]ncc2c1)N1CCC(CO)CC1
873,15632,-9.61663,Cc1ccc2[nH]cc(CCC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c2c1
874,14851,-9.6166,CCc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1
875,16696,-9.61567,NC(=O)COc1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc1
876,9622,-9.61564,Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H](C)c3cn[nH]c3)C2)n1
877,6740,-9.61501,O=C(NCc1ccccc1)[C@@H]1CCOc2ccccc21
878,3652,-9.61494,Fc1ccccc1[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
879,7020,-9.61488,Cc1nc(-c2cccc(NC(=O)c3ccc(-n4ccnc4)cc3)c2)n[nH]1
880,11150,-9.61482,Cc1nccn1-c1ncccc1CNC(=O)C1(c2ccccc2Cl)CCOCC1
881,3729,-9.61461,NC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1
882,4625,-9.61419,CC(C)c1ccc(C(=O)N2CCc3nc(N)ncc3C2)cc1
883,15573,-9.61209,COc1cc(CNC(=O)N[C@H]2CCCC23CCOCC3)ccc1C
884,17353,-9.61189,Cc1ccc(-n2[nH]c(C(=O)N3CCC(c4nc(C)no4)CC3)cc2=O)cc1
885,5521,-9.61143,C[C@H]1Cc2c(C(=O)N3CCC(n4nnc5c4CCCC5)CC3)n[nH]c2[C@@H](C)O1
886,13276,-9.61082,NC(=O)[C@H]1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1
887,792,-9.61059,O=C(c1ccc2[nH]c(=O)[nH]c2n1)N1Cc2ccccc2-c2ccccc2C1
888,10585,-9.60969,O=C1CN(C(=O)N[C@H]2CCc3ccccc32)Cc2ccccc2N1
889,5799,-9.60914,CC(=O)NCC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1
890,4002,-9.60899,CN(C[C@@H]1CCCC[C@H]1O)c1ccc2nnc(-c3ccccc3)n2n1
891,8111,-9.60864,O[C@@H](C1CCN(c2nc3ccccc3s2)CC1)C(F)(F)F
892,14952,-9.60767,Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@H]2CCCc3nc(C)ncc32)cc1
893,10110,-9.60767,O=S(=O)(Cc1ccccc1F)NC[C@@H]1CC[C@@H](c2ncn[nH]2)O1
894,18856,-9.60538,CCNC(=O)c1cc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)c(C)s1
895,15151,-9.60516,CC(C)(NC(=O)C(F)(F)F)C(=O)N1CCC(O)(Cc2ccccn2)CC1
896,3128,-9.60367,COc1cc(C)cc(CNC(=O)[C@H]2Cc3ccccc3N2C(C)=O)c1
897,4299,-9.60211,CNC(=O)CCNC(=O)c1ccccc1-c1ccccc1C#N
898,10674,-9.60133,O=C(NCc1cccc(N2CCCC2=O)c1)N1CCC[C@H](CO)C1
899,1732,-9.60126,Cc1cc([C@@H]2CCCN2C(=O)c2ccc3[nH]ncc3c2)no1
900,16369,-9.60109,Cc1cc(F)ccc1[C@H](C)n1cc(C[C@H](O)c2ccccn2)nn1
901,2027,-9.60095,CCc1nnc([C@@H]2C[C@H](O)CN2C(=O)c2csc3c2CCCC3)o1
902,19357,-9.60035,C[C@H](c1ccccc1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1
903,14833,-9.59854,O=C(N[C@@H]1CCc2[nH]cnc2C1)N[C@@H]1[C@@H]2CC[C@H]1Cc1ccccc1C2
904,15675,-9.59842,O=C(NCc1ccccn1)c1ccnc(-c2ccc(Cl)cc2)n1
905,2428,-9.59801,CC(=O)Nc1ccc(NC(=O)c2ccc(NC(N)=O)cc2)cc1
906,14797,-9.59776,CC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCOC3)c1
907,17870,-9.59764,CCc1nnc([C@H]2C[C@H](O)CN2C(=O)[C@H](C)N2CCc3ccccc32)o1
908,2378,-9.5975,COc1cc(NC(=O)c2nn(-c3ccccc3)nc2C)c(OC)cc1NC(=O)c1ccccc1
909,9292,-9.59718,CNc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cn1
910,2522,-9.59571,CC[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1nc(-c2ccccc2)c[nH]1
911,10825,-9.59486,Cc1ccc(Oc2ccccc2CNC(=O)[C@H]2CCNC(=O)C2)cc1
912,19455,-9.59345,NS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CC23CCCCC3)c1
913,15587,-9.59311,CC(C)(COCc1ccccc1)NC(=O)Nc1ccc(=O)n(Cc2ccccc2)c1
914,17957,-9.59246,[NH3+][C@@H]1CCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1
915,130,-9.59167,O=C1CCCN1CC[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)c2ccccc21
916,8977,-9.59093,Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)OCC(=O)N4C)c12
917,14016,-9.59073,O=C(NCc1nc(-c2ccco2)n[nH]1)N1CCC(c2ccccn2)CC1
918,16251,-9.59053,C[C@](O)(CC(=O)N[C@H]1CCOC2(CCCCC2)C1)C1CC1
919,17736,-9.58993,CCC(CC)(CO)CNC(=O)Nc1ncn(Cc2ccccc2)n1
920,13481,-9.58856,Cc1cc(=O)[nH]cc1C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1
921,12800,-9.58776,C[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1
922,6324,-9.58735,NC(=O)N[C@H]1CCN(C(=O)c2ccccc2[S@@](=O)C(F)(F)F)C1
923,12970,-9.58677,COCC1(O)CCN(C(=O)c2cccc3cnccc23)CC1
924,16213,-9.58672,COc1ccc(F)cc1C(=O)Nc1cccc(-c2nnc[nH]2)c1
925,13671,-9.58487,O=c1c2ccccc2nc(N2CC[C@H]3CCCC[C@H]3C2)n1CCO
926,15190,-9.58364,C[C@H]1Oc2c(cccc2C(=O)NC2(c3ccc(F)cc3)CCOCC2)NC1=O
927,19905,-9.58345,COc1ccc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)cc1
928,3650,-9.5827,CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C(=O)NC)c1
929,9816,-9.57962,C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)C1
930,4161,-9.57951,COc1cc(F)cc(CNC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1
931,6273,-9.57949,COc1ccc([C@@H]2CCCN2C(=O)NCC2CCOCC2)cc1
932,8693,-9.57852,Cc1csc([C@H]2CCCN2C(=O)c2ccc3cc[nH]c3n2)n1
933,20074,-9.57786,O=C(NCc1ccncc1)N1CCC(c2nc3c(s2)CCCC3)CC1
934,20421,-9.57748,Cc1cccc(C2(CNC(=O)C[C@H]3C=CS(=O)(=O)C3)CCCC2)c1
935,20136,-9.57733,O=C(NCC1(Cc2ccc(F)cc2)CC1)N1CCn2ncnc2C1
936,16641,-9.57731,CC1(C)CCC(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)(C(N)=O)CC1
937,18694,-9.5771,Fc1ccc([C@H]2C[C@@H]2c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc1
938,5229,-9.57385,COc1ccc(Br)c(C(=O)Nc2cccc(-c3nnn[nH]3)c2)c1
939,12141,-9.57367,O=C(Nc1cc(F)ccc1OCC1CC1)N1CC[C@@H]([C@@H]2CCOC2)C1
940,17954,-9.57354,CC(C)Cc1noc(CN2C[C@H](CO)Oc3ccccc32)n1
941,13050,-9.57334,O=S(=O)(CC1CC2(CC2)C1)NCc1ccccc1-n1ccnc1
942,4814,-9.57254,COc1ccccc1-c1cccc2cc(C(=O)NC3CC[NH2+]CC3)oc12
943,3567,-9.57221,COC[C@H]1CCN(C(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)C1
944,17228,-9.57194,CCc1ccc(O)c(C(=O)N2CCC(NC(=O)C3CC3)CC2)c1
945,3644,-9.56946,NC(=O)COc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2)cc1
946,6427,-9.56917,COc1ccc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)c(F)c1
947,2365,-9.56835,Cc1c(C#N)cccc1C(=O)Nc1c[nH]nc1-c1ccccc1F
948,62,-9.56828,CC(C)[C@@H]1CCCN(C(=O)NCc2cc3ccccc3n(C)c2=O)C1
949,19281,-9.56805,Cc1cc(C(=O)N2CCN(C(=O)c3ncccc3O)CC2)c(C)o1
950,19438,-9.56732,O=C(NCCc1cccc(Cl)c1)[C@H]1COc2ccccc2C1
951,9886,-9.56575,CNC(=O)[C@H]1CCCN1C(=O)c1ccc(O)c(Cl)c1
952,18910,-9.56537,O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@@H]1CCc2nccn2C1
953,10800,-9.5652,COc1cc(F)ccc1N1CCN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1
954,13268,-9.56493,Cc1n[nH]c(C)c1CC(=O)N[C@H]1C[C@@H](c2cccc(Cl)c2)C1
955,11844,-9.56235,CS(=O)(=O)CCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1
956,19997,-9.56196,NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3ccccc3)CC2)C1
957,3859,-9.56051,Cn1ccnc1[C@@H](NC(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O)c1ccccc1
958,4587,-9.55987,CC(=O)Nc1c(C)cc(NC(=O)N[C@H]2COc3ccc(F)cc3C2)cc1C
959,9585,-9.55953,Cc1cccc(NC[C@@H]2CCCN2C(=O)c2csc(-c3ncccc3F)n2)n1
960,10938,-9.55949,O=C(NC[C@@H](CO)Cc1cccnc1)[C@H]1Cc2cc(F)ccc2O1
961,8260,-9.55905,Cc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)CC2
962,20247,-9.55698,CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)c2ccnc(OC3CCCCC3)c2)o1
963,13778,-9.55668,CC1(C)C[C@H](NC(=O)c2cc(-c3ccccc3O)[nH]n2)CO1
964,4263,-9.55646,COc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)c2c[nH]c3ccccc23)cc1
965,14950,-9.55628,Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@@H]2CCCc3nc(C)ncc32)cc1
966,11424,-9.55609,O=C(Cc1c[nH]c2ncccc12)N1CCc2c1cccc2C(F)(F)F
967,19964,-9.55485,Cc1cc(C)cc([C@@H](O)CNC(=O)C2(c3ccc(F)cc3)CCOCC2)c1
968,9663,-9.55452,O=C(c1ccc(-n2cncn2)cc1)N1CC=C(c2ccc(F)cc2)CC1
969,16180,-9.55267,CC1(CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)Cc2ccccc2C1
970,14350,-9.55214,CC(=O)N1CCC(NC(=O)c2ccccc2-c2cn[nH]c2)CC1
971,2230,-9.55165,N#Cc1ccc(CNC(=O)c2ccccc2OC(F)F)c(F)c1
972,4734,-9.55164,O=C1CCCN1Cc1ccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1
973,14028,-9.55162,CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@H]2COc3ccccc32)C1
974,18850,-9.55101,O=C(Cn1cc(CC2(O)CCC2)nn1)N1CCC(Cc2ccccc2)CC1
975,6418,-9.55101,O=C(NC1CC[NH+](CC2CC2)CC1)N1CCO[C@H](c2cccc(F)c2)C1
976,14484,-9.55005,O=C(NCCCCc1ccc(Cl)s1)[C@@H](O)C1(O)CCC1
977,2118,-9.54982,Cc1nc(C2CC2)oc1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O
978,6890,-9.54954,Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N(C)Cc1ccccc1-c1ccccc1
979,10907,-9.54953,CC(C)c1cc(C(=O)N(C)Cc2cccc3ccccc23)n[nH]1
980,12312,-9.54901,O=C(NCc1cccc(C(F)(F)F)c1)c1ncoc1[C@H]1[C@H]2C[NH2+][C@@H]1C2
981,13082,-9.54804,Cn1nc(C(C)(C)C)cc1C(=O)N1C[C@H](CO)c2ccccc21
982,14197,-9.54786,CC(C)(C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1)c1c[nH]cn1
983,8356,-9.54758,C[C@H](NC(=O)C1CCC1)C(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12
984,17724,-9.547,COc1ccc(C(=O)NCCc2ccn(-c3ccccc3)n2)c(F)c1
985,19543,-9.5465,CNC(=O)c1cccc(CCNC(=O)c2cccc3c2CCOC3)c1
986,12824,-9.54598,Cn1c(=O)n(CCC(=O)N2CCC[C@@H](C(N)=O)C2)c2ccccc21
987,16557,-9.54533,O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)N1CCCc2ccccc21
988,12751,-9.5449,O=C1C[C@H](CNS(=O)(=O)CCC2CCCCC2)CN1
989,20079,-9.5436,Nc1noc2cc(CNC(=O)[C@H]3CC34CCCC4)ccc12
990,8006,-9.54316,O=C(c1ccc(O)cc1O)N1CCCC[C@H]1Cc1ccccc1
991,18659,-9.54224,Cc1nc(C(=O)N[C@H](CO)Cc2ccccc2)nn1-c1nnc(C(F)(F)F)[nH]1
992,14680,-9.54219,CC(C)CNC(=O)c1ccc(NC(=O)c2ccnnc2)cc1Cl
993,11009,-9.54167,O=C(NCc1cn(CCO)c(=O)[nH]c1=O)c1ccc2c(c1)CCCC2
994,16811,-9.54085,CC(=O)N[C@@H](c1nc(-c2ccc(C(=O)NC3CC3)cc2)no1)C1CCCC1
995,19541,-9.54038,C[C@](O)(CNC(=O)c1c[nH]c(=O)c(C(F)(F)F)c1)c1ccccc1
996,12116,-9.53891,c1cnc2[nH]cc(Cc3nc(-c4ccnc(N5CCCC5)c4)no3)c2c1
997,14237,-9.53882,O=C([C@H]1CC12CC[NH2+]CC2)N1CCn2c(nnc2-c2ccccc2)C1
998,6447,-9.53816,Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1